1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol

C16H31NO — CID 89073834

IUPAC1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol
SMILESC=CC(C/C=C\C)CCCCNC(O)CCCC
InChIInChI=1S/C16H31NO/c1-4-7-11-15(6-3)12-9-10-14-17-16(18)13-8-5-2/h4,6-7,15-18H,3,5,8-14H2,1-2H3/b7-4-
InChIKeyIJNYOZOQZSJNTF-DAXSKMNVSA-N
MW253.43 g/mol
LogP4.02
Rot. Bonds12

About 1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol

1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol (PubChem CID 89073834) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol.

Molecular Properties

Compound Name1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol
PubChem CID89073834
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol
SMILESC=CC(C/C=C\C)CCCCNC(O)CCCC
InChIInChI=1S/C16H31NO/c1-4-7-11-15(6-3)12-9-10-14-17-16(18)13-8-5-2/h4,6-7,15-18H,3,5,8-14H2,1-2H3/b7-4-
InChIKeyIJNYOZOQZSJNTF-DAXSKMNVSA-N
XLogP4.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol?
The IUPAC name of 1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol (CID 89073834) is 1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol.
What is the SMILES notation for 1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol?
The canonical SMILES for 1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol is C=CC(C/C=C\C)CCCCNC(O)CCCC.
What is the InChIKey of 1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol?
The InChIKey is IJNYOZOQZSJNTF-DAXSKMNVSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-7-11-15(6-3)12-9-10-14-17-16(18)13-8-5-2/h4,6-7,15-18H,3,5,8-14H2,1-2H3/b7-4-.
What are the key properties of 1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol?
1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 4.02, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol is sourced from PubChem (CID 89073834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).