(5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile

C10H18N2 — CID 137427555

IUPAC(5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile
SMILESCC1C(N)C(C#N)C[C@@H](C)C1C
InChIInChI=1S/C10H18N2/c1-6-4-9(5-11)10(12)8(3)7(6)2/h6-10H,4,12H2,1-3H3/t6-,7?,8?,9?,10?/m1/s1
InChIKeyOGKZKODPCKAXSC-VUTZLFHMSA-N
MW166.27 g/mol
LogP1.77
Rot. Bonds

About (5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile

(5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile (PubChem CID 137427555) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name(5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile
PubChem CID137427555
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile
SMILESCC1C(N)C(C#N)C[C@@H](C)C1C
InChIInChI=1S/C10H18N2/c1-6-4-9(5-11)10(12)8(3)7(6)2/h6-10H,4,12H2,1-3H3/t6-,7?,8?,9?,10?/m1/s1
InChIKeyOGKZKODPCKAXSC-VUTZLFHMSA-N
XLogP1.77
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile?
The IUPAC name of (5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile (CID 137427555) is (5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile.
What is the SMILES notation for (5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile?
The canonical SMILES for (5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile is CC1C(N)C(C#N)C[C@@H](C)C1C.
What is the InChIKey of (5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile?
The InChIKey is OGKZKODPCKAXSC-VUTZLFHMSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-4-9(5-11)10(12)8(3)7(6)2/h6-10H,4,12H2,1-3H3/t6-,7?,8?,9?,10?/m1/s1.
What are the key properties of (5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile?
(5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 137427555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).