N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine

C25H57N4P — CID 144765343

About N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine

N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine (PubChem CID 144765343) has the molecular formula C25H57N4P and a molecular weight of 444.73 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine.

Molecular Properties

• Compound Name: N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine
• PubChem CID: 144765343
• Molecular Formula: C25H57N4P
• Molecular Weight: 444.73 g/mol
• Exact Mass: 444.43
• IUPAC Name: N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine
• SMILES: C=C(CCCN(CCCN(C)C)CCCN(C)C)C(CC(C)(C)C)P(C)C.CNC
• InChI: InChI=1S/C23H50N3P.C2H7N/c1-21(22(27(9)10)20-23(2,3)4)14-11-17-26(18-12-15-24(5)6)19-13-16-25(7)8;1-3-2/h22H,1,11-20H2,2-10H3;3H,1-2H3
• InChIKey: AHUMMYBGSPAYBA-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 21.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.73
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine?

The IUPAC name of N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine (CID 144765343) is N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine.

What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine?

The canonical SMILES for N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine is C=C(CCCN(CCCN(C)C)CCCN(C)C)C(CC(C)(C)C)P(C)C.CNC.

What is the InChIKey of N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine?

The InChIKey is AHUMMYBGSPAYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N3P.C2H7N/c1-21(22(27(9)10)20-23(2,3)4)14-11-17-26(18-12-15-24(5)6)19-13-16-25(7)8;1-3-2/h22H,1,11-20H2,2-10H3;3H,1-2H3.

What are the key properties of N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine?

N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine has a molecular weight of 444.73 g/mol, XLogP of 4.91, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-(dimethylamino)propyl]-N'-(5-dimethylphosphanyl-7,7-dimethyl-4-methylideneoctyl)-N,N-dimethylpropane-1,3-diamine;N-methylmethanamine is sourced from PubChem (CID 144765343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).