(2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile

C9H16N2 — CID 143799730

IUPAC(2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile
SMILESCC1(C)CC[C@@H](N)C(C#N)C1
InChIInChI=1S/C9H16N2/c1-9(2)4-3-8(11)7(5-9)6-10/h7-8H,3-5,11H2,1-2H3/t7?,8-/m1/s1
InChIKeySZXGXKKOCHWBHD-BRFYHDHCSA-N
MW152.24 g/mol
LogP1.66
Rot. Bonds

About (2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile

(2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile (PubChem CID 143799730) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name(2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile
PubChem CID143799730
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile
SMILESCC1(C)CC[C@@H](N)C(C#N)C1
InChIInChI=1S/C9H16N2/c1-9(2)4-3-8(11)7(5-9)6-10/h7-8H,3-5,11H2,1-2H3/t7?,8-/m1/s1
InChIKeySZXGXKKOCHWBHD-BRFYHDHCSA-N
XLogP1.66
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine
CID 81014099
trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile
CID 50989537
cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride
CID 141264865
cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 55291251
trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile
CID 50989539
trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile
CID 94580475
2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine
CID 81014095
3-(2-amino-5,5-dimethylcyclohexyl)sulfanylbutan-2-ol
CID 107772656
2-amino-5,5-dimethylcycloheptan-1-ol;ethane
CID 162724462
2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-amine
CID 79188144
(2R)-2-aminocyclopropane-1-carbonitrile;hydrochloride
CID 154574514
2-hexyl-4,4-dimethylcyclohexan-1-amine
CID 81013830

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile?
The IUPAC name of (2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile (CID 143799730) is (2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile.
What is the SMILES notation for (2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile?
The canonical SMILES for (2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile is CC1(C)CC[C@@H](N)C(C#N)C1.
What is the InChIKey of (2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile?
The InChIKey is SZXGXKKOCHWBHD-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2)4-3-8(11)7(5-9)6-10/h7-8H,3-5,11H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile?
(2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 143799730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).