N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine

C11H23NO — CID 97035459

IUPACN-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine
SMILESCCNCC[C@H]1CCCC[C@H]1OC
InChIInChI=1S/C11H23NO/c1-3-12-9-8-10-6-4-5-7-11(10)13-2/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyWRGMGPCSFCUSTQ-GHMZBOCLSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds5

About N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine

N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine (PubChem CID 97035459) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine
PubChem CID97035459
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine
SMILESCCNCC[C@H]1CCCC[C@H]1OC
InChIInChI=1S/C11H23NO/c1-3-12-9-8-10-6-4-5-7-11(10)13-2/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyWRGMGPCSFCUSTQ-GHMZBOCLSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine
CID 97035239
N-[2-[(1S,2S)-2-methoxycyclohexyl]ethyl]prop-2-en-1-amine
CID 97035405
N-[2-[(1R,2S)-2-methoxycyclohexyl]ethyl]prop-2-en-1-amine
CID 97035403
1-[(2R)-2-methoxycyclohexyl]-N-methylmethanamine
CID 142251014
3-[(1R,2R)-2-methoxycyclohexyl]propanenitrile
CID 12555919
3-[(1S,2S)-2-methoxycyclohexyl]propanenitrile
CID 71404330
cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane
CID 164821993
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
methyl 4-(2-methoxycyclohexyl)butanoate
CID 12546372
2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine
CID 63861508
2-[(1R,2S)-2-methoxycyclohexyl]acetohydrazide
CID 97035443
1-(2,2-dimethylpropyl)-2-methoxycyclohexane
CID 158846748

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine?
The IUPAC name of N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine (CID 97035459) is N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine?
The canonical SMILES for N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine is CCNCC[C@H]1CCCC[C@H]1OC.
What is the InChIKey of N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine?
The InChIKey is WRGMGPCSFCUSTQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-12-9-8-10-6-4-5-7-11(10)13-2/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine?
N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine is sourced from PubChem (CID 97035459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).