4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride

C11H23ClN2O — CID 91668524

IUPAC4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)C1CCC(N)CC1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-11(2,3)13-10(14)8-4-6-9(12)7-5-8;/h8-9H,4-7,12H2,1-3H3,(H,13,14);1H
InChIKeyPFAJIVSXHDWGSE-UHFFFAOYSA-N
MW234.77 g/mol
LogP1.84
Rot. Bonds1

About 4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride

4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 91668524) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is 4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride
PubChem CID91668524
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)C1CCC(N)CC1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-11(2,3)13-10(14)8-4-6-9(12)7-5-8;/h8-9H,4-7,12H2,1-3H3,(H,13,14);1H
InChIKeyPFAJIVSXHDWGSE-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65022804
2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
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CID 112701696
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
N-(1-amino-2-methyl-1-oxopropan-2-yl)cyclopropanecarboxamide
CID 61226670
1-acetyl-N-tert-butylpiperidine-4-carboxamide
CID 17148671
N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 112684633
1-(4-aminocyclohexyl)ethanone;hydrochloride
CID 66728623
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclopentane-1-carboxamide
CID 66009158
tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate
CID 59316038
N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146258
N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide
CID 155453359

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride (CID 91668524) is 4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride is CC(C)(C)NC(=O)C1CCC(N)CC1.Cl.
What is the InChIKey of 4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is PFAJIVSXHDWGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.ClH/c1-11(2,3)13-10(14)8-4-6-9(12)7-5-8;/h8-9H,4-7,12H2,1-3H3,(H,13,14);1H.
What are the key properties of 4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride?
4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 234.77 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 91668524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).