4-methylpentan-2-amine;hydrochloride

C6H16ClN — CID 18769944

IUPAC4-methylpentan-2-amine;hydrochloride
SMILESCC(C)CC(C)N.Cl
InChIInChI=1S/C6H15N.ClH/c1-5(2)4-6(3)7;/h5-6H,4,7H2,1-3H3;1H
InChIKeyHJOGOCSHKIAAIB-UHFFFAOYSA-N
MW137.65 g/mol
LogP1.80
Rot. Bonds2

About 4-methylpentan-2-amine;hydrochloride

4-methylpentan-2-amine;hydrochloride (PubChem CID 18769944) has the molecular formula C6H16ClN and a molecular weight of 137.65 g/mol. Its IUPAC name is 4-methylpentan-2-amine;hydrochloride.

Molecular Properties

Compound Name4-methylpentan-2-amine;hydrochloride
PubChem CID18769944
Molecular FormulaC6H16ClN
Molecular Weight137.65 g/mol
Exact Mass137.10
IUPAC Name4-methylpentan-2-amine;hydrochloride
SMILESCC(C)CC(C)N.Cl
InChIInChI=1S/C6H15N.ClH/c1-5(2)4-6(3)7;/h5-6H,4,7H2,1-3H3;1H
InChIKeyHJOGOCSHKIAAIB-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-amine;hydrochloride?
The IUPAC name of 4-methylpentan-2-amine;hydrochloride (CID 18769944) is 4-methylpentan-2-amine;hydrochloride.
What is the SMILES notation for 4-methylpentan-2-amine;hydrochloride?
The canonical SMILES for 4-methylpentan-2-amine;hydrochloride is CC(C)CC(C)N.Cl.
What is the InChIKey of 4-methylpentan-2-amine;hydrochloride?
The InChIKey is HJOGOCSHKIAAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.ClH/c1-5(2)4-6(3)7;/h5-6H,4,7H2,1-3H3;1H.
What are the key properties of 4-methylpentan-2-amine;hydrochloride?
4-methylpentan-2-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 4-methylpentan-2-amine;hydrochloride is sourced from PubChem (CID 18769944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).