1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine

C15H29NO — CID 114340882

IUPAC1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine
SMILESCCNC(COC1CCC(C)(C)CC1)C1CC1
InChIInChI=1S/C15H29NO/c1-4-16-14(12-5-6-12)11-17-13-7-9-15(2,3)10-8-13/h12-14,16H,4-11H2,1-3H3
InChIKeyUSGNKDWGLKHPQY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds6

About 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine

1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine (PubChem CID 114340882) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine
PubChem CID114340882
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine
SMILESCCNC(COC1CCC(C)(C)CC1)C1CC1
InChIInChI=1S/C15H29NO/c1-4-16-14(12-5-6-12)11-17-13-7-9-15(2,3)10-8-13/h12-14,16H,4-11H2,1-3H3
InChIKeyUSGNKDWGLKHPQY-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2R)-oxan-2-yl]methyl]spiro[2.5]octan-6-amine
CID 164634000
N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine
CID 66275298
1-Oxa-4-azaspiro[5.5]undecane, 9,9-dimethyl-3-(1-methylethyl)-2-(2-methylpropyl)-
CID 114868499
N-(1-cyclohexyl-2-propan-2-yloxyethyl)propan-2-amine
CID 58384613
N-[2-(4-tert-butylcyclohexyl)oxyethyl]cyclohexanamine;propane
CID 141773518
2-Tert-butyl-3-(2,2-dimethylpropyl)morpholine
CID 155403968
N-(2-ethoxyethyl)-1-(4-methylcyclohexyl)oxybutan-2-amine
CID 167006339
(2R)-3-(4-tert-butylcyclohexyl)oxy-N-methylbutan-2-amine
CID 173665865
(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine
CID 177009567
ethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine
CID 177010141
2-[(4-Methylcyclohexyl)oxymethyl]piperidine
CID 24703387
3-cyclohexyloxy-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine
CID 43363282

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine?
The IUPAC name of 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine (CID 114340882) is 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine?
The canonical SMILES for 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine is CCNC(COC1CCC(C)(C)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine?
The InChIKey is USGNKDWGLKHPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-16-14(12-5-6-12)11-17-13-7-9-15(2,3)10-8-13/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine?
1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine is sourced from PubChem (CID 114340882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).