(1S,2R,5R)-2,5-dimethylcyclohexan-1-amine

C8H17N — CID 15306003

IUPAC(1S,2R,5R)-2,5-dimethylcyclohexan-1-amine
SMILESC[C@@H]1CC[C@@H](C)[C@@H](N)C1
InChIInChI=1S/C8H17N/c1-6-3-4-7(2)8(9)5-6/h6-8H,3-5,9H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyJDDGZKNTHGVZTQ-PRJMDXOYSA-N
MW127.23 g/mol
LogP1.77
Rot. Bonds

About (1S,2R,5R)-2,5-dimethylcyclohexan-1-amine

(1S,2R,5R)-2,5-dimethylcyclohexan-1-amine (PubChem CID 15306003) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (1S,2R,5R)-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(1S,2R,5R)-2,5-dimethylcyclohexan-1-amine
PubChem CID15306003
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(1S,2R,5R)-2,5-dimethylcyclohexan-1-amine
SMILESC[C@@H]1CC[C@@H](C)[C@@H](N)C1
InChIInChI=1S/C8H17N/c1-6-3-4-7(2)8(9)5-6/h6-8H,3-5,9H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyJDDGZKNTHGVZTQ-PRJMDXOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethylcyclohexan-1-amine;hydrobromide
CID 17138988
cis-(1R,2S)-4-methylcyclohexane-1,2-diamine
CID 101451140
2,4-dimethylcyclohexan-1-amine
CID 14675373
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027
4-methylcyclohexane-1,2-diamine;sulfuric acid
CID 11528700
(2R)-2-amino-4-methylcyclohexan-1-ol
CID 142197995
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
2-(aminomethyl)-5-methylcyclohexan-1-amine
CID 62070304
(3R)-1,3-dimethylcyclopentane
CID 13119651
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
1,3,6,8-tetramethylcyclodecane
CID 162455053
1,2,4,7-tetramethylcyclononane
CID 123661715

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of (1S,2R,5R)-2,5-dimethylcyclohexan-1-amine (CID 15306003) is (1S,2R,5R)-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for (1S,2R,5R)-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for (1S,2R,5R)-2,5-dimethylcyclohexan-1-amine is C[C@@H]1CC[C@@H](C)[C@@H](N)C1.
What is the InChIKey of (1S,2R,5R)-2,5-dimethylcyclohexan-1-amine?
The InChIKey is JDDGZKNTHGVZTQ-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6-3-4-7(2)8(9)5-6/h6-8H,3-5,9H2,1-2H3/t6-,7-,8+/m1/s1.
What are the key properties of (1S,2R,5R)-2,5-dimethylcyclohexan-1-amine?
(1S,2R,5R)-2,5-dimethylcyclohexan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 15306003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).