1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol

C14H25NO — CID 65211211

IUPAC1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCCC2=CCCCC2)CCCC1
InChIInChI=1S/C14H25NO/c16-14(9-4-5-10-14)12-15-11-8-13-6-2-1-3-7-13/h6,15-16H,1-5,7-12H2
InChIKeyULQWLDKIGJZWBO-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds5

About 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol

1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 65211211) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID65211211
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCCC2=CCCCC2)CCCC1
InChIInChI=1S/C14H25NO/c16-14(9-4-5-10-14)12-15-11-8-13-6-2-1-3-7-13/h6,15-16H,1-5,7-12H2
InChIKeyULQWLDKIGJZWBO-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.77
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]cyclopentan-1-ol?
The IUPAC name of 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol (CID 65211211) is 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol is OC1(CNCCC2=CCCCC2)CCCC1.
What is the InChIKey of 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is ULQWLDKIGJZWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c16-14(9-4-5-10-14)12-15-11-8-13-6-2-1-3-7-13/h6,15-16H,1-5,7-12H2.
What are the key properties of 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol?
1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.77, 5 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]cyclopentan-1-ol is sourced from PubChem (CID 65211211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).