(3S)-2-methylpentan-3-amine;hydrochloride

C6H16ClN — CID 11651162

IUPAC(3S)-2-methylpentan-3-amine;hydrochloride
SMILESCC[C@H](N)C(C)C.Cl
InChIInChI=1S/C6H15N.ClH/c1-4-6(7)5(2)3;/h5-6H,4,7H2,1-3H3;1H/t6-;/m0./s1
InChIKeyXELJVUCNNBUHJE-RGMNGODLSA-N
MW137.65 g/mol
LogP1.80
Rot. Bonds2

About (3S)-2-methylpentan-3-amine;hydrochloride

(3S)-2-methylpentan-3-amine;hydrochloride (PubChem CID 11651162) has the molecular formula C6H16ClN and a molecular weight of 137.65 g/mol. Its IUPAC name is (3S)-2-methylpentan-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-2-methylpentan-3-amine;hydrochloride
PubChem CID11651162
Molecular FormulaC6H16ClN
Molecular Weight137.65 g/mol
Exact Mass137.10
IUPAC Name(3S)-2-methylpentan-3-amine;hydrochloride
SMILESCC[C@H](N)C(C)C.Cl
InChIInChI=1S/C6H15N.ClH/c1-4-6(7)5(2)3;/h5-6H,4,7H2,1-3H3;1H/t6-;/m0./s1
InChIKeyXELJVUCNNBUHJE-RGMNGODLSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.65
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-2-methylpentan-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methylpentan-3-amine;hydrochloride?
The IUPAC name of (3S)-2-methylpentan-3-amine;hydrochloride (CID 11651162) is (3S)-2-methylpentan-3-amine;hydrochloride.
What is the SMILES notation for (3S)-2-methylpentan-3-amine;hydrochloride?
The canonical SMILES for (3S)-2-methylpentan-3-amine;hydrochloride is CC[C@H](N)C(C)C.Cl.
What is the InChIKey of (3S)-2-methylpentan-3-amine;hydrochloride?
The InChIKey is XELJVUCNNBUHJE-RGMNGODLSA-N. The full InChI is InChI=1S/C6H15N.ClH/c1-4-6(7)5(2)3;/h5-6H,4,7H2,1-3H3;1H/t6-;/m0./s1.
What are the key properties of (3S)-2-methylpentan-3-amine;hydrochloride?
(3S)-2-methylpentan-3-amine;hydrochloride has a molecular weight of 137.65 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methylpentan-3-amine;hydrochloride is sourced from PubChem (CID 11651162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).