(1-cycloheptyloxy-4-ethylcyclohexyl)methanamine

C16H31NO — CID 62110904

IUPAC(1-cycloheptyloxy-4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CN)(OC2CCCCCC2)CC1
InChIInChI=1S/C16H31NO/c1-2-14-9-11-16(13-17,12-10-14)18-15-7-5-3-4-6-8-15/h14-15H,2-13,17H2,1H3
InChIKeyXFNWDAYOUCWPBP-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.02
Rot. Bonds4

About (1-cycloheptyloxy-4-ethylcyclohexyl)methanamine

(1-cycloheptyloxy-4-ethylcyclohexyl)methanamine (PubChem CID 62110904) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is (1-cycloheptyloxy-4-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-cycloheptyloxy-4-ethylcyclohexyl)methanamine
PubChem CID62110904
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name(1-cycloheptyloxy-4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CN)(OC2CCCCCC2)CC1
InChIInChI=1S/C16H31NO/c1-2-14-9-11-16(13-17,12-10-14)18-15-7-5-3-4-6-8-15/h14-15H,2-13,17H2,1H3
InChIKeyXFNWDAYOUCWPBP-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(bromomethyl)-1-cyclopentyloxy-4-ethylcyclohexane
CID 63468809
1-(1-cyclobutyloxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62382935
1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane
CID 165495011
(4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine
CID 62383311
(1-ethoxy-4-ethylcycloheptyl)methanamine
CID 66073194
[3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine
CID 65051716
[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 55036284
[4-methyl-1-(4-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62107560
[1-(aminomethyl)-4-ethylcyclohexyl] acetate
CID 151244439
[1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine
CID 115669701
[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine
CID 62107731
[4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine
CID 65052704

Frequently Asked Questions

What is the IUPAC name of (1-cycloheptyloxy-4-ethylcyclohexyl)methanamine?
The IUPAC name of (1-cycloheptyloxy-4-ethylcyclohexyl)methanamine (CID 62110904) is (1-cycloheptyloxy-4-ethylcyclohexyl)methanamine.
What is the SMILES notation for (1-cycloheptyloxy-4-ethylcyclohexyl)methanamine?
The canonical SMILES for (1-cycloheptyloxy-4-ethylcyclohexyl)methanamine is CCC1CCC(CN)(OC2CCCCCC2)CC1.
What is the InChIKey of (1-cycloheptyloxy-4-ethylcyclohexyl)methanamine?
The InChIKey is XFNWDAYOUCWPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-14-9-11-16(13-17,12-10-14)18-15-7-5-3-4-6-8-15/h14-15H,2-13,17H2,1H3.
What are the key properties of (1-cycloheptyloxy-4-ethylcyclohexyl)methanamine?
(1-cycloheptyloxy-4-ethylcyclohexyl)methanamine has a molecular weight of 253.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cycloheptyloxy-4-ethylcyclohexyl)methanamine is sourced from PubChem (CID 62110904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).