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

C15H29NO — CID 63936484

IUPACN-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(C1CCOCC1)C1CCCC(C)C1
InChIInChI=1S/C15H29NO/c1-3-16-15(13-7-9-17-10-8-13)14-6-4-5-12(2)11-14/h12-16H,3-11H2,1-2H3
InChIKeyBQLHQXXJZNNFMZ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds4

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

N-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine (PubChem CID 63936484) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
PubChem CID63936484
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(C1CCOCC1)C1CCCC(C)C1
InChIInChI=1S/C15H29NO/c1-3-16-15(13-7-9-17-10-8-13)14-6-4-5-12(2)11-14/h12-16H,3-11H2,1-2H3
InChIKeyBQLHQXXJZNNFMZ-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

N-[cyclopentyl-(3-methylcyclohexyl)methyl]ethanamine
CID 63415340
N-[cyclobutyl(oxan-4-yl)methyl]ethanamine
CID 64986695
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclopentyl)methyl]ethanamine
CID 79911261
N-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105147187
N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79908691
[cyclobutyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105210413
N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423231
N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517434
N-ethyl-2,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
CID 104992228
N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine
CID 65419974
2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-methylcyclohexyl)ethanamine
CID 116723611
N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103778785

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine (CID 63936484) is N-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine is CCNC(C1CCOCC1)C1CCCC(C)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine?
The InChIKey is BQLHQXXJZNNFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-16-15(13-7-9-17-10-8-13)14-6-4-5-12(2)11-14/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine?
N-[(3-methylcyclohexyl)-(oxan-4-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-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 63936484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).