(6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile

C16H22N2 — CID 71159851

IUPAC(6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile
SMILESC[C@H]1C(C2=CCC(C)(C)CC2)=C(N)C=CC1C#N
InChIInChI=1S/C16H22N2/c1-11-13(10-17)4-5-14(18)15(11)12-6-8-16(2,3)9-7-12/h4-6,11,13H,7-9,18H2,1-3H3/t11-,13?/m1/s1
InChIKeyIONIWEQWQIVYDQ-JTDNENJMSA-N
MW242.37 g/mol
LogP3.68
Rot. Bonds1

About (6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile

(6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile (PubChem CID 71159851) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name(6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile
PubChem CID71159851
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile
SMILESC[C@H]1C(C2=CCC(C)(C)CC2)=C(N)C=CC1C#N
InChIInChI=1S/C16H22N2/c1-11-13(10-17)4-5-14(18)15(11)12-6-8-16(2,3)9-7-12/h4-6,11,13H,7-9,18H2,1-3H3/t11-,13?/m1/s1
InChIKeyIONIWEQWQIVYDQ-JTDNENJMSA-N
XLogP3.68
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of (6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile (CID 71159851) is (6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for (6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for (6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile is C[C@H]1C(C2=CCC(C)(C)CC2)=C(N)C=CC1C#N.
What is the InChIKey of (6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is IONIWEQWQIVYDQ-JTDNENJMSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-13(10-17)4-5-14(18)15(11)12-6-8-16(2,3)9-7-12/h4-6,11,13H,7-9,18H2,1-3H3/t11-,13?/m1/s1.
What are the key properties of (6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile?
(6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-amino-5-(4,4-dimethylcyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 71159851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).