[1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol

C16H29NO — CID 81411298

IUPAC[1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCCC2=CCCCC2)CCCCC1
InChIInChI=1S/C16H29NO/c18-14-16(10-5-2-6-11-16)13-17-12-9-15-7-3-1-4-8-15/h7,17-18H,1-6,8-14H2
InChIKeyJDLIGZHXIZHLPW-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.41
Rot. Bonds6

About [1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol

[1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 81411298) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is [1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID81411298
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name[1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCCC2=CCCCC2)CCCCC1
InChIInChI=1S/C16H29NO/c18-14-16(10-5-2-6-11-16)13-17-12-9-15-7-3-1-4-8-15/h7,17-18H,1-6,8-14H2
InChIKeyJDLIGZHXIZHLPW-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol (CID 81411298) is [1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol is OCC1(CNCCC2=CCCCC2)CCCCC1.
What is the InChIKey of [1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is JDLIGZHXIZHLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c18-14-16(10-5-2-6-11-16)13-17-12-9-15-7-3-1-4-8-15/h7,17-18H,1-6,8-14H2.
What are the key properties of [1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 251.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81411298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).