2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol

C23H45NO — CID 58690957

IUPAC2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol
SMILESC=C(CCCCCCC/C=C\CCCCCCCC)NC(CC)CO
InChIInChI=1S/C23H45NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(3)24-23(5-2)21-25/h12-13,23-25H,3-11,14-21H2,1-2H3/b13-12-
InChIKeyXZSXJWWGMIFXFU-SEYXRHQNSA-N
MW351.62 g/mol
LogP6.90
Rot. Bonds19

About 2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol

2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol (PubChem CID 58690957) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is 2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol
PubChem CID58690957
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol
SMILESC=C(CCCCCCC/C=C\CCCCCCCC)NC(CC)CO
InChIInChI=1S/C23H45NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(3)24-23(5-2)21-25/h12-13,23-25H,3-11,14-21H2,1-2H3/b13-12-
InChIKeyXZSXJWWGMIFXFU-SEYXRHQNSA-N
XLogP6.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.90
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 2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol?
The IUPAC name of 2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol (CID 58690957) is 2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol is C=C(CCCCCCC/C=C\CCCCCCCC)NC(CC)CO.
What is the InChIKey of 2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol?
The InChIKey is XZSXJWWGMIFXFU-SEYXRHQNSA-N. The full InChI is InChI=1S/C23H45NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(3)24-23(5-2)21-25/h12-13,23-25H,3-11,14-21H2,1-2H3/b13-12-.
What are the key properties of 2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol?
2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol has a molecular weight of 351.62 g/mol, XLogP of 6.90, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(10Z)-nonadeca-1,10-dien-2-yl]amino]butan-1-ol is sourced from PubChem (CID 58690957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).