N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine

C82H201F4N15O — CID 158860544

About N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine

N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 158860544) has the molecular formula C82H201F4N15O and a molecular weight of 1489.61 g/mol. Its IUPAC name is N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine
• PubChem CID: 158860544
• Molecular Formula: C82H201F4N15O
• Molecular Weight: 1489.61 g/mol
• Exact Mass: 1488.61
• IUPAC Name: N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)CCCNC.CN1CCC(F)(F)C1.CN1CCC(F)(F)CC1.CN1CCC(N(C)C)CC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.CNCC(C)CN(C)C.CNCCCN(C)C
• InChI: InChI=1S/C8H18N2.C8H20N2.C7H18N2.C6H11F2N.C6H14N2.C6H16N2.C6H13N.C5H9F2N.C5H11NO.C5H11N.10C2H6/c1-9(2)8-4-6-10(3)7-5-8;1-4-10(5-2)8-6-7-9-3;1-7(5-8-2)6-9(3)4;1-9-4-2-6(7,8)3-5-9;1-7-3-5-8(2)6-4-7;1-7-5-4-6-8(2)3;1-7-5-3-2-4-6-7;1-8-3-2-5(6,7)4-8;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;10*1-2/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;7-8H,5-6H2,1-4H3;2-5H2,1H3;3-6H2,1-2H3;7H,4-6H2,1-3H3;2-6H2,1H3;2-4H2,1H3;2-5H2,1H3;2-5H2,1H3;10*1-2H3
• InChIKey: JAPFTCTWAVTEKW-UHFFFAOYSA-N
• XLogP: 16.33
• TPSA: 84.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1489.61
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	3
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 N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine?

The IUPAC name of N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine (CID 158860544) is N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine.

What is the SMILES notation for N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine?

The canonical SMILES for N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)CCCNC.CN1CCC(F)(F)C1.CN1CCC(F)(F)CC1.CN1CCC(N(C)C)CC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.CNCC(C)CN(C)C.CNCCCN(C)C.

What is the InChIKey of N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine?

The InChIKey is JAPFTCTWAVTEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C8H20N2.C7H18N2.C6H11F2N.C6H14N2.C6H16N2.C6H13N.C5H9F2N.C5H11NO.C5H11N.10C2H6/c1-9(2)8-4-6-10(3)7-5-8;1-4-10(5-2)8-6-7-9-3;1-7(5-8-2)6-9(3)4;1-9-4-2-6(7,8)3-5-9;1-7-3-5-8(2)6-4-7;1-7-5-4-6-8(2)3;1-7-5-3-2-4-6-7;1-8-3-2-5(6,7)4-8;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;10*1-2/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;7-8H,5-6H2,1-4H3;2-5H2,1H3;3-6H2,1-2H3;7H,4-6H2,1-3H3;2-6H2,1H3;2-4H2,1H3;2-5H2,1H3;2-5H2,1H3;10*1-2H3.

What are the key properties of N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine?

N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 1489.61 g/mol, XLogP of 16.33, 15 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 158860544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).