N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride

C11H25ClN2O — CID 119998014

IUPACN-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride
SMILESCCCC(C)CC(=O)NCC(C)CN.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-4-5-9(2)6-11(14)13-8-10(3)7-12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H
InChIKeyFPSYPFCQLFXOCV-UHFFFAOYSA-N
MW236.79 g/mol
LogP1.95
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride (PubChem CID 119998014) has the molecular formula C11H25ClN2O and a molecular weight of 236.79 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride
PubChem CID119998014
Molecular FormulaC11H25ClN2O
Molecular Weight236.79 g/mol
Exact Mass236.17
IUPAC NameN-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride
SMILESCCCC(C)CC(=O)NCC(C)CN.Cl
InChIInChI=1S/C11H24N2O.ClH/c1-4-5-9(2)6-11(14)13-8-10(3)7-12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H
InChIKeyFPSYPFCQLFXOCV-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride
CID 119995769
3-methyl-N-propylhexanamide
CID 143315126
2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152
4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 107221231
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide
CID 119998426
4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 81079644
3-[[(5-amino-4-methylpentanoyl)amino]methyl]-5-methyloctanoic acid
CID 87608644
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
CID 106175744
3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid
CID 81080321
N-(3-amino-2-methylpropyl)-2-methylbutanamide
CID 62666098
N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide
CID 106116087
N-(3-amino-2-methylpropyl)-2-cyclopropylacetamide
CID 62667808

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride (CID 119998014) is N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride is CCCC(C)CC(=O)NCC(C)CN.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride?
The InChIKey is FPSYPFCQLFXOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.ClH/c1-4-5-9(2)6-11(14)13-8-10(3)7-12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride has a molecular weight of 236.79 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride is sourced from PubChem (CID 119998014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).