1-methylimino-4-phosphanylbutan-2-amine

C5H13N2P — CID 155417460

IUPAC1-methylimino-4-phosphanylbutan-2-amine
SMILESC/N=C/C(N)CCP
InChIInChI=1S/C5H13N2P/c1-7-4-5(6)2-3-8/h4-5H,2-3,6,8H2,1H3/b7-4+
InChIKeyNLHZNHUQRMGIML-QPJJXVBHSA-N
MW132.15 g/mol
LogP0.28
Rot. Bonds3

About 1-methylimino-4-phosphanylbutan-2-amine

1-methylimino-4-phosphanylbutan-2-amine (PubChem CID 155417460) has the molecular formula C5H13N2P and a molecular weight of 132.15 g/mol. Its IUPAC name is 1-methylimino-4-phosphanylbutan-2-amine.

Molecular Properties

Compound Name1-methylimino-4-phosphanylbutan-2-amine
PubChem CID155417460
Molecular FormulaC5H13N2P
Molecular Weight132.15 g/mol
Exact Mass132.08
IUPAC Name1-methylimino-4-phosphanylbutan-2-amine
SMILESC/N=C/C(N)CCP
InChIInChI=1S/C5H13N2P/c1-7-4-5(6)2-3-8/h4-5H,2-3,6,8H2,1H3/b7-4+
InChIKeyNLHZNHUQRMGIML-QPJJXVBHSA-N
XLogP0.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.15
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methylimino-4-methylsulfanylbutan-2-amine
CID 142239476
N,N',2-trimethylpropane-1,3-diimine
CID 89061546
5-methyliminopent-1-en-3-amine
CID 143835644
3-methylbutylphosphane;dihydrochloride
CID 172804723
3-(methyliminomethyl)pentane-2,4-dione
CID 7156894
1-(4-methylcyclohexyl)-2-methyliminoethanamine
CID 138510385
6-methyliminohexane-1,2,5-triol
CID 144642264
2-methoxy-4-phosphanylbutan-1-amine
CID 87619461
N-methyl-3-(methyliminomethyl)pentan-1-amine
CID 143556278
3,3-bis(methylsulfanyl)propylphosphane
CID 123998649
N,4-dimethyl-2-propan-2-ylpentan-1-imine
CID 146382529
2-ethyl-N-methylpent-4-en-1-imine
CID 123486283

Frequently Asked Questions

What is the IUPAC name of 1-methylimino-4-phosphanylbutan-2-amine?
The IUPAC name of 1-methylimino-4-phosphanylbutan-2-amine (CID 155417460) is 1-methylimino-4-phosphanylbutan-2-amine.
What is the SMILES notation for 1-methylimino-4-phosphanylbutan-2-amine?
The canonical SMILES for 1-methylimino-4-phosphanylbutan-2-amine is C/N=C/C(N)CCP.
What is the InChIKey of 1-methylimino-4-phosphanylbutan-2-amine?
The InChIKey is NLHZNHUQRMGIML-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H13N2P/c1-7-4-5(6)2-3-8/h4-5H,2-3,6,8H2,1H3/b7-4+.
What are the key properties of 1-methylimino-4-phosphanylbutan-2-amine?
1-methylimino-4-phosphanylbutan-2-amine has a molecular weight of 132.15 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimino-4-phosphanylbutan-2-amine is sourced from PubChem (CID 155417460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).