N-diphenylphosphorylheptan-4-amine

C19H26NOP — CID 12517987

IUPACN-diphenylphosphorylheptan-4-amine
SMILESCCCC(CCC)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26NOP/c1-3-11-17(12-4-2)20-22(21,18-13-7-5-8-14-18)19-15-9-6-10-16-19/h5-10,13-17H,3-4,11-12H2,1-2H3,(H,20,21)
InChIKeyUQXSJNWMSUNJOT-UHFFFAOYSA-N
MW315.40 g/mol
LogP4.47
Rot. Bonds8

About N-diphenylphosphorylheptan-4-amine

N-diphenylphosphorylheptan-4-amine (PubChem CID 12517987) has the molecular formula C19H26NOP and a molecular weight of 315.40 g/mol. Its IUPAC name is N-diphenylphosphorylheptan-4-amine.

Molecular Properties

Compound NameN-diphenylphosphorylheptan-4-amine
PubChem CID12517987
Molecular FormulaC19H26NOP
Molecular Weight315.40 g/mol
Exact Mass315.18
IUPAC NameN-diphenylphosphorylheptan-4-amine
SMILESCCCC(CCC)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26NOP/c1-3-11-17(12-4-2)20-22(21,18-13-7-5-8-14-18)19-15-9-6-10-16-19/h5-10,13-17H,3-4,11-12H2,1-2H3,(H,20,21)
InChIKeyUQXSJNWMSUNJOT-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(Diphenylphosphanyl)-3-methylbutan-2-amine
CID 15145880
N-diphenylphosphorylcyclohexanamine
CID 246893
Phosphonic acid, phenyl-, compd. with cyclohexylamine (1:1)
CID 209796
(S)-1-(Diphenylphosphino)-3,3-dimethylbutan-2-amine
CID 10731871
(1S,2S)-2-(Diphenylphosphino)cyclohexanamine
CID 11166389
Stk377126
CID 3722461
[(2R)-2-amino-3-methylbutyl]diphenylphosphane
CID 72376444
Stk371229
CID 3727361
(1R,2R)-2-(Diphenylphosphino)cyclohexanamine
CID 11166387
N-isopropyl-1,1-diphenylphosphanamine
CID 12809835
1-Bromo-N-cycloheptyl-1,1,1-triphenyl-lambda~5~-phosphanamine
CID 264143
N-[tert-butyl(phenyl)phosphoryl]propan-2-amine
CID 2325297

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphorylheptan-4-amine?
The IUPAC name of N-diphenylphosphorylheptan-4-amine (CID 12517987) is N-diphenylphosphorylheptan-4-amine.
What is the SMILES notation for N-diphenylphosphorylheptan-4-amine?
The canonical SMILES for N-diphenylphosphorylheptan-4-amine is CCCC(CCC)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphorylheptan-4-amine?
The InChIKey is UQXSJNWMSUNJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NOP/c1-3-11-17(12-4-2)20-22(21,18-13-7-5-8-14-18)19-15-9-6-10-16-19/h5-10,13-17H,3-4,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-diphenylphosphorylheptan-4-amine?
N-diphenylphosphorylheptan-4-amine has a molecular weight of 315.40 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphorylheptan-4-amine is sourced from PubChem (CID 12517987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).