[1-(cyclohexylamino)-4-propylcyclohexyl]methanol

C16H31NO — CID 61047472

IUPAC[1-(cyclohexylamino)-4-propylcyclohexyl]methanol
SMILESCCCC1CCC(CO)(NC2CCCCC2)CC1
InChIInChI=1S/C16H31NO/c1-2-6-14-9-11-16(13-18,12-10-14)17-15-7-4-3-5-8-15/h14-15,17-18H,2-13H2,1H3
InChIKeyTZSWQWNHLFKRCT-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.63
Rot. Bonds5

About [1-(cyclohexylamino)-4-propylcyclohexyl]methanol

[1-(cyclohexylamino)-4-propylcyclohexyl]methanol (PubChem CID 61047472) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is [1-(cyclohexylamino)-4-propylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclohexylamino)-4-propylcyclohexyl]methanol
PubChem CID61047472
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name[1-(cyclohexylamino)-4-propylcyclohexyl]methanol
SMILESCCCC1CCC(CO)(NC2CCCCC2)CC1
InChIInChI=1S/C16H31NO/c1-2-6-14-9-11-16(13-18,12-10-14)17-15-7-4-3-5-8-15/h14-15,17-18H,2-13H2,1H3
InChIKeyTZSWQWNHLFKRCT-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-4-propylcyclohexyl]methanol?
The IUPAC name of [1-(cyclohexylamino)-4-propylcyclohexyl]methanol (CID 61047472) is [1-(cyclohexylamino)-4-propylcyclohexyl]methanol.
What is the SMILES notation for [1-(cyclohexylamino)-4-propylcyclohexyl]methanol?
The canonical SMILES for [1-(cyclohexylamino)-4-propylcyclohexyl]methanol is CCCC1CCC(CO)(NC2CCCCC2)CC1.
What is the InChIKey of [1-(cyclohexylamino)-4-propylcyclohexyl]methanol?
The InChIKey is TZSWQWNHLFKRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-6-14-9-11-16(13-18,12-10-14)17-15-7-4-3-5-8-15/h14-15,17-18H,2-13H2,1H3.
What are the key properties of [1-(cyclohexylamino)-4-propylcyclohexyl]methanol?
[1-(cyclohexylamino)-4-propylcyclohexyl]methanol has a molecular weight of 253.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-4-propylcyclohexyl]methanol is sourced from PubChem (CID 61047472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).