N-(phosphanylmethyl)propan-1-amine

C4H12NP — CID 90382307

IUPACN-(phosphanylmethyl)propan-1-amine
SMILESCCCNCP
InChIInChI=1S/C4H12NP/c1-2-3-5-4-6/h5H,2-4,6H2,1H3
InChIKeyVOKNQGNZWWUNCH-UHFFFAOYSA-N
MW105.12 g/mol
LogP0.82
Rot. Bonds3

About N-(phosphanylmethyl)propan-1-amine

N-(phosphanylmethyl)propan-1-amine (PubChem CID 90382307) has the molecular formula C4H12NP and a molecular weight of 105.12 g/mol. Its IUPAC name is N-(phosphanylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(phosphanylmethyl)propan-1-amine
PubChem CID90382307
Molecular FormulaC4H12NP
Molecular Weight105.12 g/mol
Exact Mass105.07
IUPAC NameN-(phosphanylmethyl)propan-1-amine
SMILESCCCNCP
InChIInChI=1S/C4H12NP/c1-2-3-5-4-6/h5H,2-4,6H2,1H3
InChIKeyVOKNQGNZWWUNCH-UHFFFAOYSA-N
XLogP0.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.12
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of N-(phosphanylmethyl)propan-1-amine?
The IUPAC name of N-(phosphanylmethyl)propan-1-amine (CID 90382307) is N-(phosphanylmethyl)propan-1-amine.
What is the SMILES notation for N-(phosphanylmethyl)propan-1-amine?
The canonical SMILES for N-(phosphanylmethyl)propan-1-amine is CCCNCP.
What is the InChIKey of N-(phosphanylmethyl)propan-1-amine?
The InChIKey is VOKNQGNZWWUNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NP/c1-2-3-5-4-6/h5H,2-4,6H2,1H3.
What are the key properties of N-(phosphanylmethyl)propan-1-amine?
N-(phosphanylmethyl)propan-1-amine has a molecular weight of 105.12 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phosphanylmethyl)propan-1-amine is sourced from PubChem (CID 90382307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).