[1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine

C17H33NO — CID 63475213

IUPAC[1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCC2CCCCC2)CC1
InChIInChI=1S/C17H33NO/c1-2-6-15-9-11-17(14-18,12-10-15)19-13-16-7-4-3-5-8-16/h15-16H,2-14,18H2,1H3
InChIKeyHAKRSAARGBUYRR-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.27
Rot. Bonds6

About [1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine

[1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine (PubChem CID 63475213) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is [1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine
PubChem CID63475213
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name[1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCC2CCCCC2)CC1
InChIInChI=1S/C17H33NO/c1-2-6-15-9-11-17(14-18,12-10-15)19-13-16-7-4-3-5-8-16/h15-16H,2-14,18H2,1H3
InChIKeyHAKRSAARGBUYRR-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine (CID 63475213) is [1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(OCC2CCCCC2)CC1.
What is the InChIKey of [1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine?
The InChIKey is HAKRSAARGBUYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-2-6-15-9-11-17(14-18,12-10-15)19-13-16-7-4-3-5-8-16/h15-16H,2-14,18H2,1H3.
What are the key properties of [1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine?
[1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethoxy)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 63475213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).