1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol

C16H29NO — CID 65116423

IUPAC1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNCC2CC=CCC2)CC1
InChIInChI=1S/C16H29NO/c1-2-14-8-10-16(18,11-9-14)13-17-12-15-6-4-3-5-7-15/h3-4,14-15,17-18H,2,5-13H2,1H3
InChIKeyOFDVFCJCPSLXQV-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.26
Rot. Bonds5

About 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol

1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65116423) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol
PubChem CID65116423
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNCC2CC=CCC2)CC1
InChIInChI=1S/C16H29NO/c1-2-14-8-10-16(18,11-9-14)13-17-12-15-6-4-3-5-7-15/h3-4,14-15,17-18H,2,5-13H2,1H3
InChIKeyOFDVFCJCPSLXQV-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(Cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol
CID 55038351
1-[(Cyclohex-3-en-1-ylmethylamino)methyl]cycloheptan-1-ol
CID 61948604
1-[(Cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol
CID 61949002
1-[[1-(2-Bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclohexan-1-ol
CID 65106983
1-[(6-Bicyclo[3.2.0]hept-3-enylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115100
1-[[1-(2-Bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115383
1-[(2-Bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115418
1-[(Cyclohex-3-en-1-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115615
1-[(But-3-enylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115812
1-[[1-(2-Bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65115852
1-[(6-Bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol
CID 65115904
4-Methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
CID 65116293

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol (CID 65116423) is 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNCC2CC=CCC2)CC1.
What is the InChIKey of 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is OFDVFCJCPSLXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-14-8-10-16(18,11-9-14)13-17-12-15-6-4-3-5-7-15/h3-4,14-15,17-18H,2,5-13H2,1H3.
What are the key properties of 1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol?
1-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.26, 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]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65116423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).