1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol

C17H31NO — CID 39746149

IUPAC1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol
SMILESCC(C)=CCC/C(C)=C/CNCCC1(O)CCCC1
InChIInChI=1S/C17H31NO/c1-15(2)7-6-8-16(3)9-13-18-14-12-17(19)10-4-5-11-17/h7,9,18-19H,4-6,8,10-14H2,1-3H3/b16-9+
InChIKeyALJOELGRVXTGSR-CXUHLZMHSA-N
MW265.44 g/mol
LogP3.96
Rot. Bonds8

About 1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol

1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol (PubChem CID 39746149) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol
PubChem CID39746149
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol
SMILESCC(C)=CCC/C(C)=C/CNCCC1(O)CCCC1
InChIInChI=1S/C17H31NO/c1-15(2)7-6-8-16(3)9-13-18-14-12-17(19)10-4-5-11-17/h7,9,18-19H,4-6,8,10-14H2,1-3H3/b16-9+
InChIKeyALJOELGRVXTGSR-CXUHLZMHSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.96
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'}

Analyze 1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-[3-(Butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 10400546
(5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 14964967
1-[2-(6-Methylhept-5-en-2-ylamino)ethyl]cyclopentan-1-ol
CID 56859408
1-[[2-(Cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65211211
1-[2-(3,7-Dimethylocta-2,6-dienylamino)ethyl]cyclopentan-1-ol
CID 72083784
4-[2-(Cyclopenten-1-yl)ethylamino]-2-methylbutan-2-ol
CID 106173928
1-[[2-(Cyclopenten-1-yl)ethylamino]methyl]cyclopentan-1-ol
CID 106174143
3-[[2-(Cyclopenten-1-yl)ethylamino]methyl]pentan-3-ol
CID 106174156
1-[[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
CID 113797441
1-[(6-Methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol
CID 115719651
1-[[[(E)-pent-3-enyl]amino]methyl]cyclopentan-1-ol
CID 116034143
2-Methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)butan-2-ol
CID 117205716

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol (CID 39746149) is 1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol is CC(C)=CCC/C(C)=C/CNCCC1(O)CCCC1.
What is the InChIKey of 1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol?
The InChIKey is ALJOELGRVXTGSR-CXUHLZMHSA-N. The full InChI is InChI=1S/C17H31NO/c1-15(2)7-6-8-16(3)9-13-18-14-12-17(19)10-4-5-11-17/h7,9,18-19H,4-6,8,10-14H2,1-3H3/b16-9+.
What are the key properties of 1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol?
1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol has a molecular weight of 265.44 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 39746149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).