trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine

C11H23N — CID 15852265

IUPACtrans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine
SMILESCCN(CC)[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C11H23N/c1-4-12(5-2)11-9-7-6-8-10(11)3/h10-11H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyNRJZSMXQBQJWER-GHMZBOCLSA-N
MW169.31 g/mol
LogP2.91
Rot. Bonds3

About trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine

trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine (PubChem CID 15852265) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine
PubChem CID15852265
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nametrans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine
SMILESCCN(CC)[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C11H23N/c1-4-12(5-2)11-9-7-6-8-10(11)3/h10-11H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyNRJZSMXQBQJWER-GHMZBOCLSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol
CID 129411602
2-[ethyl-(2-methylcyclohexyl)amino]ethanol
CID 89249208
2-[ethyl-(2-methylcyclohexyl)amino]acetic acid
CID 65063082
4-[ethyl-(2-methylcyclohexyl)amino]butan-1-ol
CID 71071089
1-[ethyl-(2-methylcyclohexyl)amino]ethanol
CID 89249210
2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine
CID 63466542
ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate
CID 171623835
1-ethyl-1-(2-methylcyclohexyl)urea
CID 174296150
4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol
CID 71071404
1-ethyl-1-(2-methylcyclohexyl)urea;hydrochloride
CID 174296149
2-[butyl-(2-methylcyclopentyl)amino]ethanol
CID 89249359
N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine (CID 15852265) is trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine is CCN(CC)[C@@H]1CCCC[C@H]1C.
What is the InChIKey of trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine?
The InChIKey is NRJZSMXQBQJWER-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H23N/c1-4-12(5-2)11-9-7-6-8-10(11)3/h10-11H,4-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine?
trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine is sourced from PubChem (CID 15852265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).