N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine

C15H29NO — CID 103778785

IUPACN-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCC1CCCC(CNC(C)C2CCOCC2)C1
InChIInChI=1S/C15H29NO/c1-12-4-3-5-14(10-12)11-16-13(2)15-6-8-17-9-7-15/h12-16H,3-11H2,1-2H3
InChIKeyUABDNWUEXIONFH-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds4

About N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine

N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine (PubChem CID 103778785) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine
PubChem CID103778785
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCC1CCCC(CNC(C)C2CCOCC2)C1
InChIInChI=1S/C15H29NO/c1-12-4-3-5-14(10-12)11-16-13(2)15-6-8-17-9-7-15/h12-16H,3-11H2,1-2H3
InChIKeyUABDNWUEXIONFH-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81392098
N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine
CID 115713106
N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
CID 115893382
(1R)-N-(cyclobutylmethyl)-1-cyclopentylethanamine
CID 81393857
N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115710912
3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol
CID 115677296
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 114129792
2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793045

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine (CID 103778785) is N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine is CC1CCCC(CNC(C)C2CCOCC2)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is UABDNWUEXIONFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-4-3-5-14(10-12)11-16-13(2)15-6-8-17-9-7-15/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine?
N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 103778785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).