N-(1-phosphanylethenyl)butan-1-amine

C6H14NP — CID 170236223

IUPACN-(1-phosphanylethenyl)butan-1-amine
SMILESC=C(P)NCCCC
InChIInChI=1S/C6H14NP/c1-3-4-5-7-6(2)8/h7H,2-5,8H2,1H3
InChIKeyXBNMLHZOPUQIKU-UHFFFAOYSA-N
MW131.16 g/mol
LogP1.72
Rot. Bonds4

About N-(1-phosphanylethenyl)butan-1-amine

N-(1-phosphanylethenyl)butan-1-amine (PubChem CID 170236223) has the molecular formula C6H14NP and a molecular weight of 131.16 g/mol. Its IUPAC name is N-(1-phosphanylethenyl)butan-1-amine.

Molecular Properties

Compound NameN-(1-phosphanylethenyl)butan-1-amine
PubChem CID170236223
Molecular FormulaC6H14NP
Molecular Weight131.16 g/mol
Exact Mass131.09
IUPAC NameN-(1-phosphanylethenyl)butan-1-amine
SMILESC=C(P)NCCCC
InChIInChI=1S/C6H14NP/c1-3-4-5-7-6(2)8/h7H,2-5,8H2,1H3
InChIKeyXBNMLHZOPUQIKU-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butylhept-1-en-2-amine
CID 170620308
N-butyl-1-phosphanylformamide
CID 89204579
1-N'-butyl-1-N-methylethene-1,1-diamine;methane
CID 159003501
N-but-1-en-2-ylpentan-1-amine;ethane
CID 177233508
N-hexyloct-1-en-2-amine
CID 169110016
1-N-butyl-1-N'-(4-methylpentyl)ethene-1,1-diamine
CID 170319243
methyl N-[2-(butylamino)prop-2-enyl]carbamate;propane
CID 144506375
butylcarbamic acid
CID 3026651
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine
CID 134483816
phosphanyl N-butylcarbamate
CID 89204581
N-butyl-2-silylpropanamide
CID 123860399

Frequently Asked Questions

What is the IUPAC name of N-(1-phosphanylethenyl)butan-1-amine?
The IUPAC name of N-(1-phosphanylethenyl)butan-1-amine (CID 170236223) is N-(1-phosphanylethenyl)butan-1-amine.
What is the SMILES notation for N-(1-phosphanylethenyl)butan-1-amine?
The canonical SMILES for N-(1-phosphanylethenyl)butan-1-amine is C=C(P)NCCCC.
What is the InChIKey of N-(1-phosphanylethenyl)butan-1-amine?
The InChIKey is XBNMLHZOPUQIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NP/c1-3-4-5-7-6(2)8/h7H,2-5,8H2,1H3.
What are the key properties of N-(1-phosphanylethenyl)butan-1-amine?
N-(1-phosphanylethenyl)butan-1-amine has a molecular weight of 131.16 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phosphanylethenyl)butan-1-amine is sourced from PubChem (CID 170236223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).