1-amino-4-propan-2-ylcyclohexane-1-carbonitrile

C10H18N2 — CID 45096280

IUPAC1-amino-4-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC(C)C1CCC(N)(C#N)CC1
InChIInChI=1S/C10H18N2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h8-9H,3-6,12H2,1-2H3
InChIKeyKZVYXXOSVVUBBF-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.05
Rot. Bonds1

About 1-amino-4-propan-2-ylcyclohexane-1-carbonitrile

1-amino-4-propan-2-ylcyclohexane-1-carbonitrile (PubChem CID 45096280) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-amino-4-propan-2-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-4-propan-2-ylcyclohexane-1-carbonitrile
PubChem CID45096280
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-amino-4-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC(C)C1CCC(N)(C#N)CC1
InChIInChI=1S/C10H18N2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h8-9H,3-6,12H2,1-2H3
InChIKeyKZVYXXOSVVUBBF-UHFFFAOYSA-N
XLogP2.05
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-propan-2-ylcyclohexane-1-carbonitrile?
The IUPAC name of 1-amino-4-propan-2-ylcyclohexane-1-carbonitrile (CID 45096280) is 1-amino-4-propan-2-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-amino-4-propan-2-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-amino-4-propan-2-ylcyclohexane-1-carbonitrile is CC(C)C1CCC(N)(C#N)CC1.
What is the InChIKey of 1-amino-4-propan-2-ylcyclohexane-1-carbonitrile?
The InChIKey is KZVYXXOSVVUBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h8-9H,3-6,12H2,1-2H3.
What are the key properties of 1-amino-4-propan-2-ylcyclohexane-1-carbonitrile?
1-amino-4-propan-2-ylcyclohexane-1-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-propan-2-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 45096280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).