1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride

C11H21ClN2 — CID 75413886

IUPAC1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride
SMILESCC(C)(C)C1CCC(N)(C#N)CC1.Cl
InChIInChI=1S/C11H20N2.ClH/c1-10(2,3)9-4-6-11(13,8-12)7-5-9;/h9H,4-7,13H2,1-3H3;1H
InChIKeyZUMCQBBJAJFFHN-UHFFFAOYSA-N
MW216.76 g/mol
LogP2.87
Rot. Bonds

About 1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride

1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride (PubChem CID 75413886) has the molecular formula C11H21ClN2 and a molecular weight of 216.76 g/mol. Its IUPAC name is 1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride
PubChem CID75413886
Molecular FormulaC11H21ClN2
Molecular Weight216.76 g/mol
Exact Mass216.14
IUPAC Name1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride
SMILESCC(C)(C)C1CCC(N)(C#N)CC1.Cl
InChIInChI=1S/C11H20N2.ClH/c1-10(2,3)9-4-6-11(13,8-12)7-5-9;/h9H,4-7,13H2,1-3H3;1H
InChIKeyZUMCQBBJAJFFHN-UHFFFAOYSA-N
XLogP2.87
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.76
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Amino-4-methylcyclohexane-1-carbonitrile hydrochloride
CID 74889765
1-Amino-4-ethylcyclohexane-1-carbonitrile
CID 16787488
1-Amino-4-tert-butylcyclohexane-1-carbonitrile
CID 16793134
2-Amino-2-cyclohexylbutanenitrile
CID 19422634
2-Amino-2-cyclohexylpropanenitrile
CID 20294934
2-Amino-2-cyclohexylpropanenitrile;hydrochloride
CID 20535661
4-Tert-butyl-1-methylcyclohexan-1-amine
CID 20612686
2-[2,2-Diamino-1-(1-cyanoethyl)cyclohexyl]propanenitrile
CID 21326988
2-(1-Aminocyclohexyl)propanenitrile
CID 21418003
1-Methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43809392
4-(tert-Butyl)-1-ethylcyclohexan-1-amine
CID 43809409
1-Amino-4-(propan-2-yl)cyclohexane-1-carbonitrile
CID 45096280

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride?
The IUPAC name of 1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride (CID 75413886) is 1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride.
What is the SMILES notation for 1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride?
The canonical SMILES for 1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride is CC(C)(C)C1CCC(N)(C#N)CC1.Cl.
What is the InChIKey of 1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride?
The InChIKey is ZUMCQBBJAJFFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.ClH/c1-10(2,3)9-4-6-11(13,8-12)7-5-9;/h9H,4-7,13H2,1-3H3;1H.
What are the key properties of 1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride?
1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride has a molecular weight of 216.76 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-tert-butylcyclohexane-1-carbonitrile;hydrochloride is sourced from PubChem (CID 75413886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).