2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol

C14H25NO — CID 64929066

IUPAC2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCC1CC=CCC1
InChIInChI=1S/C14H25NO/c16-14-9-5-4-8-13(14)11-15-10-12-6-2-1-3-7-12/h1-2,12-16H,3-11H2
InChIKeyKMICONITKUEPCE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.48
Rot. Bonds4

About 2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol

2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 64929066) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID64929066
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCC1CC=CCC1
InChIInChI=1S/C14H25NO/c16-14-9-5-4-8-13(14)11-15-10-12-6-2-1-3-7-12/h1-2,12-16H,3-11H2
InChIKeyKMICONITKUEPCE-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 2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol (CID 64929066) is 2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol is OC1CCCCC1CNCC1CC=CCC1.
What is the InChIKey of 2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is KMICONITKUEPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c16-14-9-5-4-8-13(14)11-15-10-12-6-2-1-3-7-12/h1-2,12-16H,3-11H2.
What are the key properties of 2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol?
2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol 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 2-[(cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64929066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).