butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane

C91H226N12O8 — CID 165008557

About butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane

butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane (PubChem CID 165008557) has the molecular formula C91H226N12O8 and a molecular weight of 1616.88 g/mol. Its IUPAC name is butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane.

Molecular Properties

• Compound Name: butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane
• PubChem CID: 165008557
• Molecular Formula: C91H226N12O8
• Molecular Weight: 1616.88 g/mol
• Exact Mass: 1615.76
• IUPAC Name: butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane
• SMILES: CC(=O)N(C)C.CCC.CCC(=O)N(C)CC.CCCC.CCCCC.CCCCCC.CCCN(C)C(C)=O.CCCN(C)CC.CCCNCC.CCCOCC.CCN(C)C.CCN(C)C(C)=O.CCN(C)CC.CCN(CC)CC.CCNC.CCNC(C)C.CCNCC.CCOC.CCOCC.COC
• InChI: InChI=1S/2C6H13NO.2C6H15N.C6H14.C5H11NO.3C5H13N.C5H12O.C5H12.C4H9NO.2C4H11N.C4H10O.C4H10.C3H9N.C3H8O.C3H8.C2H6O/c1-4-5-7(3)6(2)8;1-4-6(8)7(3)5-2;1-4-6-7(3)5-2;1-4-7(5-2)6-3;1-3-5-6-4-2;1-4-6(3)5(2)7;1-4-6(3)5-2;1-4-6-5(2)3;2*1-3-5-6-4-2;1-3-5-4-2;1-4(6)5(2)3;1-4-5(2)3;2*1-3-5-4-2;3*1-3-4-2;2*1-3-2/h2*4-5H2,1-3H3;2*4-6H2,1-3H3;3-6H2,1-2H3;4H2,1-3H3;4-5H2,1-3H3;5-6H,4H2,1-3H3;6H,3-5H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3;1-3H3;4H2,1-3H3;5H,3-4H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;4H,3H2,1-2H3;3H2,1-2H3;3H2,1-2H3;1-2H3
• InChIKey: JINRGLOHRAZODM-UHFFFAOYSA-N
• XLogP: 20.80
• TPSA: 179.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 34
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1616.88
LogP ≤ 5	20.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane?

The IUPAC name of butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane (CID 165008557) is butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane.

What is the SMILES notation for butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane?

The canonical SMILES for butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane is CC(=O)N(C)C.CCC.CCC(=O)N(C)CC.CCCC.CCCCC.CCCCCC.CCCN(C)C(C)=O.CCCN(C)CC.CCCNCC.CCCOCC.CCN(C)C.CCN(C)C(C)=O.CCN(C)CC.CCN(CC)CC.CCNC.CCNC(C)C.CCNCC.CCOC.CCOCC.COC.

What is the InChIKey of butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane?

The InChIKey is JINRGLOHRAZODM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13NO.2C6H15N.C6H14.C5H11NO.3C5H13N.C5H12O.C5H12.C4H9NO.2C4H11N.C4H10O.C4H10.C3H9N.C3H8O.C3H8.C2H6O/c1-4-5-7(3)6(2)8;1-4-6(8)7(3)5-2;1-4-6-7(3)5-2;1-4-7(5-2)6-3;1-3-5-6-4-2;1-4-6(3)5(2)7;1-4-6(3)5-2;1-4-6-5(2)3;2*1-3-5-6-4-2;1-3-5-4-2;1-4(6)5(2)3;1-4-5(2)3;2*1-3-5-4-2;3*1-3-4-2;2*1-3-2/h2*4-5H2,1-3H3;2*4-6H2,1-3H3;3-6H2,1-2H3;4H2,1-3H3;4-5H2,1-3H3;5-6H,4H2,1-3H3;6H,3-5H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3;1-3H3;4H2,1-3H3;5H,3-4H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;4H,3H2,1-2H3;3H2,1-2H3;3H2,1-2H3;1-2H3.

What are the key properties of butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane?

butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane has a molecular weight of 1616.88 g/mol, XLogP of 20.80, 34 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for butane;N,N-diethylethanamine;N,N-dimethylacetamide;N,N-dimethylethanamine;ethoxyethane;1-ethoxypropane;N-ethylethanamine;N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;N-ethyl-N-methylpropan-1-amine;N-ethylpropan-1-amine;N-ethylpropan-2-amine;hexane;methoxyethane;methoxymethane;N-methylethanamine;N-methyl-N-propylacetamide;pentane;propane is sourced from PubChem (CID 165008557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).