2-methyl-3-N-phosphanylbutane-1,3-diamine

C5H15N2P — CID 167106466

IUPAC2-methyl-3-N-phosphanylbutane-1,3-diamine
SMILESCC(CN)C(C)NP
InChIInChI=1S/C5H15N2P/c1-4(3-6)5(2)7-8/h4-5,7H,3,6,8H2,1-2H3
InChIKeyMWFDTFKTQAZUIB-UHFFFAOYSA-N
MW134.16 g/mol
LogP0.35
Rot. Bonds3

About 2-methyl-3-N-phosphanylbutane-1,3-diamine

2-methyl-3-N-phosphanylbutane-1,3-diamine (PubChem CID 167106466) has the molecular formula C5H15N2P and a molecular weight of 134.16 g/mol. Its IUPAC name is 2-methyl-3-N-phosphanylbutane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-3-N-phosphanylbutane-1,3-diamine
PubChem CID167106466
Molecular FormulaC5H15N2P
Molecular Weight134.16 g/mol
Exact Mass134.10
IUPAC Name2-methyl-3-N-phosphanylbutane-1,3-diamine
SMILESCC(CN)C(C)NP
InChIInChI=1S/C5H15N2P/c1-4(3-6)5(2)7-8/h4-5,7H,3,6,8H2,1-2H3
InChIKeyMWFDTFKTQAZUIB-UHFFFAOYSA-N
XLogP0.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-2,3-dimethylbutane-1,4-diamine
CID 87997033
2,3-dimethylpentane-1,4-diamine
CID 23031274
4-amino-3-methylbutan-2-ol;methane
CID 158476628
2-methylpentane-1,3,4-triamine
CID 172814468
3-N-(1,2,4-benzotriazin-3-yl)-2-methylbutane-1,3-diamine
CID 103205232
(2R,3R)-4-amino-2,3-dimethylbutanenitrile;hydrate
CID 141007574
aminomethyl(trimethyl)phosphanium;carbanide
CID 159656059
(2S)-propane-1,2-diamine
CID 642322
2-methylpropan-1-amine;dihydrobromide
CID 172812560
2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103387734
2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine
CID 107871349
4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine
CID 70442959

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N-phosphanylbutane-1,3-diamine?
The IUPAC name of 2-methyl-3-N-phosphanylbutane-1,3-diamine (CID 167106466) is 2-methyl-3-N-phosphanylbutane-1,3-diamine.
What is the SMILES notation for 2-methyl-3-N-phosphanylbutane-1,3-diamine?
The canonical SMILES for 2-methyl-3-N-phosphanylbutane-1,3-diamine is CC(CN)C(C)NP.
What is the InChIKey of 2-methyl-3-N-phosphanylbutane-1,3-diamine?
The InChIKey is MWFDTFKTQAZUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N2P/c1-4(3-6)5(2)7-8/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of 2-methyl-3-N-phosphanylbutane-1,3-diamine?
2-methyl-3-N-phosphanylbutane-1,3-diamine has a molecular weight of 134.16 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N-phosphanylbutane-1,3-diamine is sourced from PubChem (CID 167106466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).