(1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine

C9H19N — CID 28584708

IUPAC(1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine
SMILESCN[C@@H]1CCC[C@@H](C)[C@@H]1C
InChIInChI=1S/C9H19N/c1-7-5-4-6-9(10-3)8(7)2/h7-10H,4-6H2,1-3H3/t7-,8+,9-/m1/s1
InChIKeyZNYHMFMQFFSNIH-HRDYMLBCSA-N
MW141.26 g/mol
LogP2.03
Rot. Bonds1

About (1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine

(1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine (PubChem CID 28584708) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine
PubChem CID28584708
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine
SMILESCN[C@@H]1CCC[C@@H](C)[C@@H]1C
InChIInChI=1S/C9H19N/c1-7-5-4-6-9(10-3)8(7)2/h7-10H,4-6H2,1-3H3/t7-,8+,9-/m1/s1
InChIKeyZNYHMFMQFFSNIH-HRDYMLBCSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethylcyclopentan-1-amine;ethane
CID 144598118
N-(2,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 64909530
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide
CID 129431064
trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine
CID 129406607
1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-methylthiourea
CID 7941565
2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
CID 60688769
N'-(2,3-dimethylcyclohexyl)methanediamine
CID 143582027
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795
N-(2-methoxyethoxy)-2,3-dimethylcyclohexan-1-amine
CID 82715306
1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol
CID 115692717
2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
CID 43445011

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine?
The IUPAC name of (1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine (CID 28584708) is (1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for (1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine?
The canonical SMILES for (1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine is CN[C@@H]1CCC[C@@H](C)[C@@H]1C.
What is the InChIKey of (1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine?
The InChIKey is ZNYHMFMQFFSNIH-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H19N/c1-7-5-4-6-9(10-3)8(7)2/h7-10H,4-6H2,1-3H3/t7-,8+,9-/m1/s1.
What are the key properties of (1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine?
(1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 28584708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).