trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile

C8H14N2 — CID 30072442

IUPACtrans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile
SMILESC[C@H]1CCC[C@](N)(C#N)C1
InChIInChI=1S/C8H14N2/c1-7-3-2-4-8(10,5-7)6-9/h7H,2-5,10H2,1H3/t7-,8+/m0/s1
InChIKeyOGRLZZHRGWIMSX-JGVFFNPUSA-N
MW138.21 g/mol
LogP1.42
Rot. Bonds

About trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile

trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile (PubChem CID 30072442) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile
PubChem CID30072442
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Nametrans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile
SMILESC[C@H]1CCC[C@](N)(C#N)C1
InChIInChI=1S/C8H14N2/c1-7-3-2-4-8(10,5-7)6-9/h7H,2-5,10H2,1H3/t7-,8+/m0/s1
InChIKeyOGRLZZHRGWIMSX-JGVFFNPUSA-N
XLogP1.42
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3,4-dimethylcyclohexane-1-carbonitrile
CID 64745262
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 43151562
3-methyl-1-(sulfanylamino)cyclohexane-1-carbonitrile
CID 155238451
1-isocyanato-3-methylcyclohexane-1-carbonitrile
CID 82884329
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
1-butyl-3-methylcyclohexane-1-carbonitrile
CID 65377466
methyl 2-(1-cyano-3-methylcyclohexyl)-2-hydroxyacetate
CID 79127776
1-(1-hydroxy-2-oxoethyl)-3-methylcyclohexane-1-carbonitrile
CID 79128992
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile?
The IUPAC name of trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile (CID 30072442) is trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile?
The canonical SMILES for trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile is C[C@H]1CCC[C@](N)(C#N)C1.
What is the InChIKey of trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile?
The InChIKey is OGRLZZHRGWIMSX-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-3-2-4-8(10,5-7)6-9/h7H,2-5,10H2,1H3/t7-,8+/m0/s1.
What are the key properties of trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile?
trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 30072442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).