1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine

C16H29N2P — CID 70455787

IUPAC1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine
SMILESCCC(N(C)C)P(c1ccccc1)C(CC)N(C)C
InChIInChI=1S/C16H29N2P/c1-7-15(17(3)4)19(16(8-2)18(5)6)14-12-10-9-11-13-14/h9-13,15-16H,7-8H2,1-6H3
InChIKeyPVBKFRKRPHYFNY-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.39
Rot. Bonds7

About 1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine

1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine (PubChem CID 70455787) has the molecular formula C16H29N2P and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine
PubChem CID70455787
Molecular FormulaC16H29N2P
Molecular Weight280.40 g/mol
Exact Mass280.21
IUPAC Name1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine
SMILESCCC(N(C)C)P(c1ccccc1)C(CC)N(C)C
InChIInChI=1S/C16H29N2P/c1-7-15(17(3)4)19(16(8-2)18(5)6)14-12-10-9-11-13-14/h9-13,15-16H,7-8H2,1-6H3
InChIKeyPVBKFRKRPHYFNY-UHFFFAOYSA-N
XLogP3.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
CID 177490000
CID 177490000
(1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol
CID 23650610
butane;triphenylphosphane
CID 161447439
(S)-ethyl-methyl-phenylphosphane
CID 10909914
3-diphenylphosphanylpentanenitrile
CID 10956491
bis(3,3-dimethylbutan-2-yl)-phenylphosphane
CID 174333758
ethyl-[2-[ethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 22760091
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
triethyl(phenyl)phosphanium chloride
CID 21464749
diethyl(diphenyl)phosphanium hydroxide
CID 18407746

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine (CID 70455787) is 1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine is CCC(N(C)C)P(c1ccccc1)C(CC)N(C)C.
What is the InChIKey of 1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine?
The InChIKey is PVBKFRKRPHYFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N2P/c1-7-15(17(3)4)19(16(8-2)18(5)6)14-12-10-9-11-13-14/h9-13,15-16H,7-8H2,1-6H3.
What are the key properties of 1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine?
1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine has a molecular weight of 280.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propyl-phenylphosphanyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 70455787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).