3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol

C18H35NO — CID 170096805

IUPAC3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol
SMILESC=C(CCCCCC1CCC(O)C1)NCCCCCC
InChIInChI=1S/C18H35NO/c1-3-4-5-9-14-19-16(2)10-7-6-8-11-17-12-13-18(20)15-17/h17-20H,2-15H2,1H3
InChIKeyMAXCYHQTVFOMKV-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.78
Rot. Bonds12

About 3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol

3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol (PubChem CID 170096805) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol
PubChem CID170096805
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol
SMILESC=C(CCCCCC1CCC(O)C1)NCCCCCC
InChIInChI=1S/C18H35NO/c1-3-4-5-9-14-19-16(2)10-7-6-8-11-17-12-13-18(20)15-17/h17-20H,2-15H2,1H3
InChIKeyMAXCYHQTVFOMKV-UHFFFAOYSA-N
XLogP4.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol?
The IUPAC name of 3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol (CID 170096805) is 3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol?
The canonical SMILES for 3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol is C=C(CCCCCC1CCC(O)C1)NCCCCCC.
What is the InChIKey of 3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol?
The InChIKey is MAXCYHQTVFOMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-4-5-9-14-19-16(2)10-7-6-8-11-17-12-13-18(20)15-17/h17-20H,2-15H2,1H3.
What are the key properties of 3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol?
3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol has a molecular weight of 281.48 g/mol, XLogP of 4.78, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(hexylamino)hept-6-enyl]cyclopentan-1-ol is sourced from PubChem (CID 170096805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).