[1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol

C15H27NO — CID 81419341

IUPAC[1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCC2CC=CCC2)CCCCC1
InChIInChI=1S/C15H27NO/c17-13-15(9-5-2-6-10-15)12-16-11-14-7-3-1-4-8-14/h1,3,14,16-17H,2,4-13H2
InChIKeyYUNZERPGMWXPJZ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.88
Rot. Bonds5

About [1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol

[1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol (PubChem CID 81419341) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is [1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol
PubChem CID81419341
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name[1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCC2CC=CCC2)CCCCC1
InChIInChI=1S/C15H27NO/c17-13-15(9-5-2-6-10-15)12-16-11-14-7-3-1-4-8-14/h1,3,14,16-17H,2,4-13H2
InChIKeyYUNZERPGMWXPJZ-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol (CID 81419341) is [1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol is OCC1(CNCC2CC=CCC2)CCCCC1.
What is the InChIKey of [1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol?
The InChIKey is YUNZERPGMWXPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c17-13-15(9-5-2-6-10-15)12-16-11-14-7-3-1-4-8-14/h1,3,14,16-17H,2,4-13H2.
What are the key properties of [1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol?
[1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol has a molecular weight of 237.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81419341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).