3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol

C22H45NO — CID 141139978

IUPAC3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol
SMILESCCCCCCCC/C=C\CCCCCCCCCNCCCO
InChIInChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24/h9-10,23-24H,2-8,11-22H2,1H3/b10-9-
InChIKeyVRIFJUJUCWAMBH-KTKRTIGZSA-N
MW339.61 g/mol
LogP6.39
Rot. Bonds20

About 3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol

3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol (PubChem CID 141139978) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is 3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol
PubChem CID141139978
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Name3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol
SMILESCCCCCCCC/C=C\CCCCCCCCCNCCCO
InChIInChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24/h9-10,23-24H,2-8,11-22H2,1H3/b10-9-
InChIKeyVRIFJUJUCWAMBH-KTKRTIGZSA-N
XLogP6.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.39
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 3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol?
The IUPAC name of 3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol (CID 141139978) is 3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol?
The canonical SMILES for 3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol is CCCCCCCC/C=C\CCCCCCCCCNCCCO.
What is the InChIKey of 3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol?
The InChIKey is VRIFJUJUCWAMBH-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24/h9-10,23-24H,2-8,11-22H2,1H3/b10-9-.
What are the key properties of 3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol?
3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol has a molecular weight of 339.61 g/mol, XLogP of 6.39, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-nonadec-10-enyl]amino]propan-1-ol is sourced from PubChem (CID 141139978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).