N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride

C16H33ClN2O — CID 119659726

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCCC(CC(=O)N(C)CCC(N)C(C)C)C1.Cl
InChIInChI=1S/C16H32N2O.ClH/c1-12(2)15(17)8-9-18(4)16(19)11-14-7-5-6-13(3)10-14;/h12-15H,5-11,17H2,1-4H3;1H
InChIKeyNVMVOCWZDFNECI-UHFFFAOYSA-N
MW304.91 g/mol
LogP3.46
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride (PubChem CID 119659726) has the molecular formula C16H33ClN2O and a molecular weight of 304.91 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride
PubChem CID119659726
Molecular FormulaC16H33ClN2O
Molecular Weight304.91 g/mol
Exact Mass304.23
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCCC(CC(=O)N(C)CCC(N)C(C)C)C1.Cl
InChIInChI=1S/C16H32N2O.ClH/c1-12(2)15(17)8-9-18(4)16(19)11-14-7-5-6-13(3)10-14;/h12-15H,5-11,17H2,1-4H3;1H
InChIKeyNVMVOCWZDFNECI-UHFFFAOYSA-N
XLogP3.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.91
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119658274
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 119658134
N-(3-amino-4-methylpentyl)-2-(cyclopropylmethoxy)-N-methylacetamide;hydrochloride
CID 119661202
N-(3-amino-4-methylpentyl)-N-methyl-2-(oxan-2-yl)acetamide;hydrochloride
CID 119657738
N-(3-amino-4-methylpentyl)-2-(cyclopropylmethoxy)-N-methylacetamide
CID 119661203
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 99849762
N-(3-amino-4-methylpentyl)-N-methyladamantane-1-carboxamide;hydrochloride
CID 119659923
N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride
CID 119657669
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
N-(3-amino-4-methylpentyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119660231
1-N,4-dimethyl-1-N-[3-(2-methylpropyl)cyclohexyl]pentane-1,3-diamine
CID 107429448

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride (CID 119659726) is N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride is CC1CCCC(CC(=O)N(C)CCC(N)C(C)C)C1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride?
The InChIKey is NVMVOCWZDFNECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O.ClH/c1-12(2)15(17)8-9-18(4)16(19)11-14-7-5-6-13(3)10-14;/h12-15H,5-11,17H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride has a molecular weight of 304.91 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 119659726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).