2-methylpropylazanium

C4H12N+ — CID 7311734

IUPAC2-methylpropylazanium
SMILESCC(C)C[NH3+]
InChIInChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3/p+1
InChIKeyKDSNLYIMUZNERS-UHFFFAOYSA-O
MW74.15 g/mol
LogP-0.12
Rot. Bonds1

About 2-methylpropylazanium

2-methylpropylazanium (PubChem CID 7311734) has the molecular formula C4H12N+ and a molecular weight of 74.15 g/mol. Its IUPAC name is 2-methylpropylazanium.

Molecular Properties

Compound Name2-methylpropylazanium
PubChem CID7311734
Molecular FormulaC4H12N+
Molecular Weight74.15 g/mol
Exact Mass74.10
IUPAC Name2-methylpropylazanium
SMILESCC(C)C[NH3+]
InChIInChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3/p+1
InChIKeyKDSNLYIMUZNERS-UHFFFAOYSA-O
XLogP-0.12
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Butylamine
CID 8007
Propylamine
CID 7852
Isoamylamine
CID 7894
Isobutylamine
CID 6558
1,2-Dimethylpropylamine
CID 11731
2-Methylbutylamine
CID 7283
Neopentylamine
CID 79882
1-Butanamine, 3-methyl-, hydrochloride (1:1)
CID 10922
2-Methylbutylamine, (S)-
CID 2724272
1,2-Dimethylpropylamine, (R)-
CID 6999786
Butylammonium
CID 3614750
Isobutylammonium
CID 3041751

Frequently Asked Questions

What is the IUPAC name of 2-methylpropylazanium?
The IUPAC name of 2-methylpropylazanium (CID 7311734) is 2-methylpropylazanium.
What is the SMILES notation for 2-methylpropylazanium?
The canonical SMILES for 2-methylpropylazanium is CC(C)C[NH3+].
What is the InChIKey of 2-methylpropylazanium?
The InChIKey is KDSNLYIMUZNERS-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3/p+1.
What are the key properties of 2-methylpropylazanium?
2-methylpropylazanium has a molecular weight of 74.15 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylazanium is sourced from PubChem (CID 7311734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).