N-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine

C15H29NO — CID 79364991

IUPACN-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine
SMILESCCNCC1CCCOC1C1CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-3-16-11-14-5-4-10-17-15(14)13-8-6-12(2)7-9-13/h12-16H,3-11H2,1-2H3
InChIKeyGQRHEPHHWYWXMU-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds4

About N-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine

N-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine (PubChem CID 79364991) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine
PubChem CID79364991
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine
SMILESCCNCC1CCCOC1C1CCC(C)CC1
InChIInChI=1S/C15H29NO/c1-3-16-11-14-5-4-10-17-15(14)13-8-6-12(2)7-9-13/h12-16H,3-11H2,1-2H3
InChIKeyGQRHEPHHWYWXMU-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

1-(2-cyclopropyloxan-3-yl)-N-methylmethanamine
CID 79365541
N-[[2-(oxolan-2-yl)oxolan-3-yl]methyl]ethanamine
CID 82837371
N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79364575
N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine
CID 114207979
N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine
CID 79364725
N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine
CID 79365813
N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine
CID 79365816
N-[(2-cycloheptyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 79365980
N-[[2-(oxan-3-yl)cyclobutyl]methyl]ethanamine
CID 107138098
2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
CID 79365304
N-[[2-[4-(trifluoromethylsulfanyl)phenyl]oxan-3-yl]methyl]ethanamine
CID 79370705
N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 104819149

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine (CID 79364991) is N-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine is CCNCC1CCCOC1C1CCC(C)CC1.
What is the InChIKey of N-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine?
The InChIKey is GQRHEPHHWYWXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-16-11-14-5-4-10-17-15(14)13-8-6-12(2)7-9-13/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine?
N-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]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-[[2-(4-methylcyclohexyl)oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 79364991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).