N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride

C12H27ClN2O — CID 119995769

IUPACN-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride
SMILESCC(C)CC(C)CC(=O)NCC(C)CN.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-9(2)5-10(3)6-12(15)14-8-11(4)7-13;/h9-11H,5-8,13H2,1-4H3,(H,14,15);1H
InChIKeyLCYPVZPDBLMGKA-UHFFFAOYSA-N
MW250.81 g/mol
LogP2.19
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride

N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride (PubChem CID 119995769) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride
PubChem CID119995769
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC NameN-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride
SMILESCC(C)CC(C)CC(=O)NCC(C)CN.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-9(2)5-10(3)6-12(15)14-8-11(4)7-13;/h9-11H,5-8,13H2,1-4H3,(H,14,15);1H
InChIKeyLCYPVZPDBLMGKA-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride
CID 119998014
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)-3-(4-methylpentan-2-yloxy)propanamide
CID 119995373
3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid
CID 81080321
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
CID 106175744
N-(3-amino-2-methylpropyl)-2-cyclopropylacetamide
CID 62667808
4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 81079644
3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152937
(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152919
(3S)-3-[[(5-amino-4-methylpentanoyl)amino]methyl]-5-methylhexanoic acid
CID 82688879
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide
CID 119998426

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride (CID 119995769) is N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride is CC(C)CC(C)CC(=O)NCC(C)CN.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride?
The InChIKey is LCYPVZPDBLMGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.ClH/c1-9(2)5-10(3)6-12(15)14-8-11(4)7-13;/h9-11H,5-8,13H2,1-4H3,(H,14,15);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride has a molecular weight of 250.81 g/mol, XLogP of 2.19, 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)-3,5-dimethylhexanamide;hydrochloride is sourced from PubChem (CID 119995769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).