2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide

C40H93N3O4 — CID 160746287

IUPAC2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide
SMILESC.C.CC(C)CC(C)C.CC(C)CNC(=O)C(C)C.CC(C)CNC(=O)COC(C)C.CC(C)CNC(C)C.CC(C)COC(C)C
InChIInChI=1S/C9H19NO2.C8H17NO.C7H17N.C7H16O.C7H16.2CH4/c1-7(2)5-10-9(11)6-12-8(3)4;1-6(2)5-9-8(10)7(3)4;2*1-6(2)5-8-7(3)4;1-6(2)5-7(3)4;;/h7-8H,5-6H2,1-4H3,(H,10,11);6-7H,5H2,1-4H3,(H,9,10);6-8H,5H2,1-4H3;6-7H,5H2,1-4H3;6-7H,5H2,1-4H3;2*1H4
InChIKeyRWFQQCLEQXDPLY-UHFFFAOYSA-N
MW680.20 g/mol
LogP10.27
Rot. Bonds16

About 2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide

2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide (PubChem CID 160746287) has the molecular formula C40H93N3O4 and a molecular weight of 680.20 g/mol. Its IUPAC name is 2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound Name2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide
PubChem CID160746287
Molecular FormulaC40H93N3O4
Molecular Weight680.20 g/mol
Exact Mass679.72
IUPAC Name2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide
SMILESC.C.CC(C)CC(C)C.CC(C)CNC(=O)C(C)C.CC(C)CNC(=O)COC(C)C.CC(C)CNC(C)C.CC(C)COC(C)C
InChIInChI=1S/C9H19NO2.C8H17NO.C7H17N.C7H16O.C7H16.2CH4/c1-7(2)5-10-9(11)6-12-8(3)4;1-6(2)5-9-8(10)7(3)4;2*1-6(2)5-8-7(3)4;1-6(2)5-7(3)4;;/h7-8H,5-6H2,1-4H3,(H,10,11);6-7H,5H2,1-4H3,(H,9,10);6-8H,5H2,1-4H3;6-7H,5H2,1-4H3;6-7H,5H2,1-4H3;2*1H4
InChIKeyRWFQQCLEQXDPLY-UHFFFAOYSA-N
XLogP10.27
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.20
LogP ≤ 510.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide?
The IUPAC name of 2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide (CID 160746287) is 2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for 2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for 2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide is C.C.CC(C)CC(C)C.CC(C)CNC(=O)C(C)C.CC(C)CNC(=O)COC(C)C.CC(C)CNC(C)C.CC(C)COC(C)C.
What is the InChIKey of 2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide?
The InChIKey is RWFQQCLEQXDPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C8H17NO.C7H17N.C7H16O.C7H16.2CH4/c1-7(2)5-10-9(11)6-12-8(3)4;1-6(2)5-9-8(10)7(3)4;2*1-6(2)5-8-7(3)4;1-6(2)5-7(3)4;;/h7-8H,5-6H2,1-4H3,(H,10,11);6-7H,5H2,1-4H3,(H,9,10);6-8H,5H2,1-4H3;6-7H,5H2,1-4H3;6-7H,5H2,1-4H3;2*1H4.
What are the key properties of 2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide?
2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide has a molecular weight of 680.20 g/mol, XLogP of 10.27, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane;methane;2-methyl-N-(2-methylpropyl)propanamide;2-methyl-1-propan-2-yloxypropane;2-methyl-N-propan-2-ylpropan-1-amine;N-(2-methylpropyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 160746287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).