N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride

C12H27ClN2O — CID 119597381

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride
SMILESCCC(C)C(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-6-10(4)11(15)14-12(5,8-13)7-9(2)3;/h9-10H,6-8,13H2,1-5H3,(H,14,15);1H
InChIKeyOKUKFPVIKGKYEQ-UHFFFAOYSA-N
MW250.81 g/mol
LogP2.33
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride (PubChem CID 119597381) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride
PubChem CID119597381
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride
SMILESCCC(C)C(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-6-10(4)11(15)14-12(5,8-13)7-9(2)3;/h9-10H,6-8,13H2,1-5H3,(H,14,15);1H
InChIKeyOKUKFPVIKGKYEQ-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dimethylbutanamide;hydrochloride
CID 119597747
N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride
CID 120607605
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
CID 114875694
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-ethoxyethoxy)propanamide
CID 119599208
N-(1-amino-2,4-dimethylpentan-2-yl)-2,2-dicyclopropylacetamide
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N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide
CID 115309768
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride
CID 119600368
(Z)-N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpent-2-enamide
CID 81485320
N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide
CID 119597794
N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide
CID 106328381
N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide
CID 119600308

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride (CID 119597381) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride is CCC(C)C(=O)NC(C)(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride?
The InChIKey is OKUKFPVIKGKYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.ClH/c1-6-10(4)11(15)14-12(5,8-13)7-9(2)3;/h9-10H,6-8,13H2,1-5H3,(H,14,15);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride has a molecular weight of 250.81 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 119597381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).