4-methylphosphanylbutan-2-amine

C5H14NP — CID 170035642

IUPAC4-methylphosphanylbutan-2-amine
SMILESCPCCC(C)N
InChIInChI=1S/C5H14NP/c1-5(6)3-4-7-2/h5,7H,3-4,6H2,1-2H3
InChIKeyCBNFEDRBSLSZQT-UHFFFAOYSA-N
MW119.15 g/mol
LogP1.03
Rot. Bonds3

About 4-methylphosphanylbutan-2-amine

4-methylphosphanylbutan-2-amine (PubChem CID 170035642) has the molecular formula C5H14NP and a molecular weight of 119.15 g/mol. Its IUPAC name is 4-methylphosphanylbutan-2-amine.

Molecular Properties

Compound Name4-methylphosphanylbutan-2-amine
PubChem CID170035642
Molecular FormulaC5H14NP
Molecular Weight119.15 g/mol
Exact Mass119.09
IUPAC Name4-methylphosphanylbutan-2-amine
SMILESCPCCC(C)N
InChIInChI=1S/C5H14NP/c1-5(6)3-4-7-2/h5,7H,3-4,6H2,1-2H3
InChIKeyCBNFEDRBSLSZQT-UHFFFAOYSA-N
XLogP1.03
TPSA26.02 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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5R)-hexane-2,5-diamine
CID 144618459
2-methyl-5-methylphosphanylpent-1-en-3-amine
CID 174333077
methyl(3-methylhexyl)phosphane
CID 123785321
(5R)-5-aminohexan-2-ol
CID 144692574
(2R,3S)-3-methylheptane-2,6-diamine
CID 174083116
(2S)-2-amino-4-methylphosphanylbutanoic acid;azane
CID 175442820
5-amino-2-methylhexanamide
CID 71433088
2-methylhexane-1,5-diamine
CID 18314368
(2S)-pentan-2-amine
CID 6997344
docosane-2,21-diamine
CID 150079956
beryllium;hydride;propan-2-amine
CID 174791883
5-methylheptan-2-amine;hydrochloride
CID 127255592

Frequently Asked Questions

What is the IUPAC name of 4-methylphosphanylbutan-2-amine?
The IUPAC name of 4-methylphosphanylbutan-2-amine (CID 170035642) is 4-methylphosphanylbutan-2-amine.
What is the SMILES notation for 4-methylphosphanylbutan-2-amine?
The canonical SMILES for 4-methylphosphanylbutan-2-amine is CPCCC(C)N.
What is the InChIKey of 4-methylphosphanylbutan-2-amine?
The InChIKey is CBNFEDRBSLSZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NP/c1-5(6)3-4-7-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 4-methylphosphanylbutan-2-amine?
4-methylphosphanylbutan-2-amine has a molecular weight of 119.15 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylphosphanylbutan-2-amine is sourced from PubChem (CID 170035642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).