2-methyl-N-phosphanylbutan-1-amine

C5H14NP — CID 88977726

IUPAC2-methyl-N-phosphanylbutan-1-amine
SMILESCCC(C)CNP
InChIInChI=1S/C5H14NP/c1-3-5(2)4-6-7/h5-6H,3-4,7H2,1-2H3
InChIKeyDHVPMLRYZHKTJI-UHFFFAOYSA-N
MW119.15 g/mol
LogP1.41
Rot. Bonds3

About 2-methyl-N-phosphanylbutan-1-amine

2-methyl-N-phosphanylbutan-1-amine (PubChem CID 88977726) has the molecular formula C5H14NP and a molecular weight of 119.15 g/mol. Its IUPAC name is 2-methyl-N-phosphanylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-N-phosphanylbutan-1-amine
PubChem CID88977726
Molecular FormulaC5H14NP
Molecular Weight119.15 g/mol
Exact Mass119.09
IUPAC Name2-methyl-N-phosphanylbutan-1-amine
SMILESCCC(C)CNP
InChIInChI=1S/C5H14NP/c1-3-5(2)4-6-7/h5-6H,3-4,7H2,1-2H3
InChIKeyDHVPMLRYZHKTJI-UHFFFAOYSA-N
XLogP1.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phosphanylbutan-1-amine?
The IUPAC name of 2-methyl-N-phosphanylbutan-1-amine (CID 88977726) is 2-methyl-N-phosphanylbutan-1-amine.
What is the SMILES notation for 2-methyl-N-phosphanylbutan-1-amine?
The canonical SMILES for 2-methyl-N-phosphanylbutan-1-amine is CCC(C)CNP.
What is the InChIKey of 2-methyl-N-phosphanylbutan-1-amine?
The InChIKey is DHVPMLRYZHKTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NP/c1-3-5(2)4-6-7/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 2-methyl-N-phosphanylbutan-1-amine?
2-methyl-N-phosphanylbutan-1-amine has a molecular weight of 119.15 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phosphanylbutan-1-amine is sourced from PubChem (CID 88977726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).