N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine

C18H31N2P — CID 134885744

IUPACN-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine
SMILESCCCCN(CCCC)P(c1ccccc1)N1CCCC1
InChIInChI=1S/C18H31N2P/c1-3-5-14-19(15-6-4-2)21(20-16-10-11-17-20)18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3
InChIKeyDSMLVXCDZUGYRH-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.62
Rot. Bonds9

About N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine

N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine (PubChem CID 134885744) has the molecular formula C18H31N2P and a molecular weight of 306.43 g/mol. Its IUPAC name is N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine
PubChem CID134885744
Molecular FormulaC18H31N2P
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC NameN-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine
SMILESCCCCN(CCCC)P(c1ccccc1)N1CCCC1
InChIInChI=1S/C18H31N2P/c1-3-5-14-19(15-6-4-2)21(20-16-10-11-17-20)18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3
InChIKeyDSMLVXCDZUGYRH-UHFFFAOYSA-N
XLogP4.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.62
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-butyl-N-phenylazepane-1-carboxamide
CID 116656340
N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine
CID 118967803
N,N-bis(diphenylphosphanyl)hexan-1-amine
CID 88592099
(4-hexylpiperidin-1-yl)-diphenylphosphane
CID 59090045
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
diphenyl(pyrrolidin-1-yl)phosphane;phenyl(dipyrrolidin-1-yl)phosphane
CID 88816907
dichloropalladium;bis(diphenyl(piperidin-1-yl)phosphane)
CID 88813042
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
butyl-methyl-phenylphosphane
CID 14832966
dipentyl(phenyl)phosphane
CID 3085487
(2R,5S)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
CID 134344067
butane;triphenylphosphane
CID 161447439

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine?
The IUPAC name of N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine (CID 134885744) is N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine is CCCCN(CCCC)P(c1ccccc1)N1CCCC1.
What is the InChIKey of N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine?
The InChIKey is DSMLVXCDZUGYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N2P/c1-3-5-14-19(15-6-4-2)21(20-16-10-11-17-20)18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3.
What are the key properties of N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine?
N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine has a molecular weight of 306.43 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine is sourced from PubChem (CID 134885744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).