N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine

C15H29NO — CID 116767361

IUPACN-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CC1)C1(OCC)CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-4-16-14(13-6-7-13)15(17-5-2)10-8-12(3)9-11-15/h12-14,16H,4-11H2,1-3H3
InChIKeyWLKGOZYIOLTGHN-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds6

About N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine

N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine (PubChem CID 116767361) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
PubChem CID116767361
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CC1)C1(OCC)CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-4-16-14(13-6-7-13)15(17-5-2)10-8-12(3)9-11-15/h12-14,16H,4-11H2,1-3H3
InChIKeyWLKGOZYIOLTGHN-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

1-(1-ethoxy-4-methylcyclohexyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 116767209
N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768830
1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine
CID 116767273
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 116767242
N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765789
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
CID 116768886
N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764131
1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 116770863
N-[2-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)ethyl]propan-1-amine
CID 116767388
[(3,4-dimethylcyclohexyl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277347

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine (CID 116767361) is N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine is CCNC(C1CC1)C1(OCC)CCC(C)CC1.
What is the InChIKey of N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is WLKGOZYIOLTGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-16-14(13-6-7-13)15(17-5-2)10-8-12(3)9-11-15/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine?
N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine 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 N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 116767361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).