3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride

C17H33ClN2O — CID 119716258

IUPAC3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(C)C1CCCCC1NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-17(2,3)14-9-4-5-10-15(14)19-16(20)12-7-6-8-13(18)11-12;/h12-15H,4-11,18H2,1-3H3,(H,19,20);1H
InChIKeyGWVGLBDJSUICIO-UHFFFAOYSA-N
MW316.92 g/mol
LogP3.65
Rot. Bonds2

About 3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119716258) has the molecular formula C17H33ClN2O and a molecular weight of 316.92 g/mol. Its IUPAC name is 3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119716258
Molecular FormulaC17H33ClN2O
Molecular Weight316.92 g/mol
Exact Mass316.23
IUPAC Name3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(C)C1CCCCC1NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-17(2,3)14-9-4-5-10-15(14)19-16(20)12-7-6-8-13(18)11-12;/h12-15H,4-11,18H2,1-3H3,(H,19,20);1H
InChIKeyGWVGLBDJSUICIO-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylcyclohexyl)cyclobutanecarboxamide
CID 6466635
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CID 66007557
3-amino-N-(2-cyclohexylcyclopropyl)cyclohexane-1-carboxamide
CID 119803900
N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 124857090
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
3-amino-N-(2,3-dimethylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119676180
3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119773377
3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119790519
2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride
CID 119285417
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119674765
3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 119778147
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119892062

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride (CID 119716258) is 3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride is CC(C)(C)C1CCCCC1NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is GWVGLBDJSUICIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.ClH/c1-17(2,3)14-9-4-5-10-15(14)19-16(20)12-7-6-8-13(18)11-12;/h12-15H,4-11,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 316.92 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119716258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).