2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride

C12H28ClN — CID 18314135

IUPAC2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride
SMILESCC(C)CN(CC(C)C)CC(C)C.Cl
InChIInChI=1S/C12H27N.ClH/c1-10(2)7-13(8-11(3)4)9-12(5)6;/h10-12H,7-9H2,1-6H3;1H
InChIKeyJHBBVSNPCAYYIA-UHFFFAOYSA-N
MW221.82 g/mol
LogP3.68
Rot. Bonds6

About 2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride

2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride (PubChem CID 18314135) has the molecular formula C12H28ClN and a molecular weight of 221.82 g/mol. Its IUPAC name is 2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride
PubChem CID18314135
Molecular FormulaC12H28ClN
Molecular Weight221.82 g/mol
Exact Mass221.19
IUPAC Name2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride
SMILESCC(C)CN(CC(C)C)CC(C)C.Cl
InChIInChI=1S/C12H27N.ClH/c1-10(2)7-13(8-11(3)4)9-12(5)6;/h10-12H,7-9H2,1-6H3;1H
InChIKeyJHBBVSNPCAYYIA-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.82
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N,N-bis(2-methylpropyl)propan-1-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 2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride?
The IUPAC name of 2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride (CID 18314135) is 2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride is CC(C)CN(CC(C)C)CC(C)C.Cl.
What is the InChIKey of 2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride?
The InChIKey is JHBBVSNPCAYYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.ClH/c1-10(2)7-13(8-11(3)4)9-12(5)6;/h10-12H,7-9H2,1-6H3;1H.
What are the key properties of 2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride?
2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride has a molecular weight of 221.82 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(2-methylpropyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 18314135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).