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

C14H25NO — CID 84590027

IUPAC[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol
SMILESOCC1CCC(NCC2CC=CCC2)CC1
InChIInChI=1S/C14H25NO/c16-11-13-6-8-14(9-7-13)15-10-12-4-2-1-3-5-12/h1-2,12-16H,3-11H2
InChIKeyFAJYJMBNNQFHDB-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.48
Rot. Bonds4

About [4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol

[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol (PubChem CID 84590027) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is [4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol
PubChem CID84590027
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol
SMILESOCC1CCC(NCC2CC=CCC2)CC1
InChIInChI=1S/C14H25NO/c16-11-13-6-8-14(9-7-13)15-10-12-4-2-1-3-5-12/h1-2,12-16H,3-11H2
InChIKeyFAJYJMBNNQFHDB-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.48
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 [4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol?
The IUPAC name of [4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol (CID 84590027) is [4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol?
The canonical SMILES for [4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol is OCC1CCC(NCC2CC=CCC2)CC1.
What is the InChIKey of [4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol?
The InChIKey is FAJYJMBNNQFHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c16-11-13-6-8-14(9-7-13)15-10-12-4-2-1-3-5-12/h1-2,12-16H,3-11H2.
What are the key properties of [4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol?
[4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol has a molecular weight of 223.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohex-3-en-1-ylmethylamino)cyclohexyl]methanol is sourced from PubChem (CID 84590027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).