1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride

C8H15ClN2 — CID 74889765

IUPAC1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride
SMILESCC1CCC(N)(C#N)CC1.Cl
InChIInChI=1S/C8H14N2.ClH/c1-7-2-4-8(10,6-9)5-3-7;/h7H,2-5,10H2,1H3;1H
InChIKeyZOASQIYQLSEVFX-UHFFFAOYSA-N
MW174.67 g/mol
LogP1.84
Rot. Bonds

About 1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride

1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride (PubChem CID 74889765) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is 1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride
PubChem CID74889765
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride
SMILESCC1CCC(N)(C#N)CC1.Cl
InChIInChI=1S/C8H14N2.ClH/c1-7-2-4-8(10,6-9)5-3-7;/h7H,2-5,10H2,1H3;1H
InChIKeyZOASQIYQLSEVFX-UHFFFAOYSA-N
XLogP1.84
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride?
The IUPAC name of 1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride (CID 74889765) is 1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride.
What is the SMILES notation for 1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride?
The canonical SMILES for 1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride is CC1CCC(N)(C#N)CC1.Cl.
What is the InChIKey of 1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride?
The InChIKey is ZOASQIYQLSEVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.ClH/c1-7-2-4-8(10,6-9)5-3-7;/h7H,2-5,10H2,1H3;1H.
What are the key properties of 1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride?
1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride has a molecular weight of 174.67 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methylcyclohexane-1-carbonitrile;hydrochloride is sourced from PubChem (CID 74889765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).