2-(pentylamino)non-1-en-3-ol

C14H29NO — CID 167158137

IUPAC2-(pentylamino)non-1-en-3-ol
SMILESC=C(NCCCCC)C(O)CCCCCC
InChIInChI=1S/C14H29NO/c1-4-6-8-9-11-14(16)13(3)15-12-10-7-5-2/h14-16H,3-12H2,1-2H3
InChIKeyVVTIOWCTXKJJEI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.61
Rot. Bonds11

About 2-(pentylamino)non-1-en-3-ol

2-(pentylamino)non-1-en-3-ol (PubChem CID 167158137) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(pentylamino)non-1-en-3-ol.

Molecular Properties

Compound Name2-(pentylamino)non-1-en-3-ol
PubChem CID167158137
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(pentylamino)non-1-en-3-ol
SMILESC=C(NCCCCC)C(O)CCCCCC
InChIInChI=1S/C14H29NO/c1-4-6-8-9-11-14(16)13(3)15-12-10-7-5-2/h14-16H,3-12H2,1-2H3
InChIKeyVVTIOWCTXKJJEI-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.61
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 2-(pentylamino)non-1-en-3-ol?
The IUPAC name of 2-(pentylamino)non-1-en-3-ol (CID 167158137) is 2-(pentylamino)non-1-en-3-ol.
What is the SMILES notation for 2-(pentylamino)non-1-en-3-ol?
The canonical SMILES for 2-(pentylamino)non-1-en-3-ol is C=C(NCCCCC)C(O)CCCCCC.
What is the InChIKey of 2-(pentylamino)non-1-en-3-ol?
The InChIKey is VVTIOWCTXKJJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-6-8-9-11-14(16)13(3)15-12-10-7-5-2/h14-16H,3-12H2,1-2H3.
What are the key properties of 2-(pentylamino)non-1-en-3-ol?
2-(pentylamino)non-1-en-3-ol has a molecular weight of 227.39 g/mol, XLogP of 3.61, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)non-1-en-3-ol is sourced from PubChem (CID 167158137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).