1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine

C15H29NO — CID 64571862

IUPAC1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine
SMILESCCC1CCCC(OCC2(N)CCCCC2)C1
InChIInChI=1S/C15H29NO/c1-2-13-7-6-8-14(11-13)17-12-15(16)9-4-3-5-10-15/h13-14H,2-12,16H2,1H3
InChIKeyIXWSAQDSCSNCMC-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.63
Rot. Bonds4

About 1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine

1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine (PubChem CID 64571862) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine
PubChem CID64571862
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine
SMILESCCC1CCCC(OCC2(N)CCCCC2)C1
InChIInChI=1S/C15H29NO/c1-2-13-7-6-8-14(11-13)17-12-15(16)9-4-3-5-10-15/h13-14H,2-12,16H2,1H3
InChIKeyIXWSAQDSCSNCMC-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylcyclohexyl)oxymethyl]cycloheptan-1-amine
CID 64548755
1-(cyclohexyloxymethyl)cycloheptan-1-amine
CID 64548745
(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
1-[(2-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine
CID 64574195
1-amino-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol
CID 64814015
1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine
CID 54557959
(3-ethylcyclohexyl) (2R)-2-aminopropanoate
CID 78967083
1-(cyclohex-2-en-1-yloxymethyl)cyclohexan-1-amine
CID 114620327
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810
1-(3-ethylcyclohexyl)oxy-3-methylbutan-2-one
CID 79396137
2-[(1-aminocyclohexyl)methoxy]cycloheptan-1-ol
CID 106940021
3-ethyl-1-(methoxymethyl)cyclohexan-1-amine
CID 126977495

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine?
The IUPAC name of 1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine (CID 64571862) is 1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine is CCC1CCCC(OCC2(N)CCCCC2)C1.
What is the InChIKey of 1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine?
The InChIKey is IXWSAQDSCSNCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-13-7-6-8-14(11-13)17-12-15(16)9-4-3-5-10-15/h13-14H,2-12,16H2,1H3.
What are the key properties of 1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine?
1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 64571862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).