2-amino-3-pent-1-enyloct-4-en-1-ol

C13H25NO — CID 91225527

IUPAC2-amino-3-pent-1-enyloct-4-en-1-ol
SMILESCCCC=CC(C=CCCC)C(N)CO
InChIInChI=1S/C13H25NO/c1-3-5-7-9-12(13(14)11-15)10-8-6-4-2/h7-10,12-13,15H,3-6,11,14H2,1-2H3
InChIKeyGOJFFYLTFJOJRF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds8

About 2-amino-3-pent-1-enyloct-4-en-1-ol

2-amino-3-pent-1-enyloct-4-en-1-ol (PubChem CID 91225527) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-amino-3-pent-1-enyloct-4-en-1-ol.

Molecular Properties

Compound Name2-amino-3-pent-1-enyloct-4-en-1-ol
PubChem CID91225527
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-amino-3-pent-1-enyloct-4-en-1-ol
SMILESCCCC=CC(C=CCCC)C(N)CO
InChIInChI=1S/C13H25NO/c1-3-5-7-9-12(13(14)11-15)10-8-6-4-2/h7-10,12-13,15H,3-6,11,14H2,1-2H3
InChIKeyGOJFFYLTFJOJRF-UHFFFAOYSA-N
XLogP2.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(2S)-2-amino-5-methylhex-4-en-1-ol
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2-Amino-3-methylpent-4-en-1-ol
CID 64574354
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pent-1-enyloct-4-en-1-ol?
The IUPAC name of 2-amino-3-pent-1-enyloct-4-en-1-ol (CID 91225527) is 2-amino-3-pent-1-enyloct-4-en-1-ol.
What is the SMILES notation for 2-amino-3-pent-1-enyloct-4-en-1-ol?
The canonical SMILES for 2-amino-3-pent-1-enyloct-4-en-1-ol is CCCC=CC(C=CCCC)C(N)CO.
What is the InChIKey of 2-amino-3-pent-1-enyloct-4-en-1-ol?
The InChIKey is GOJFFYLTFJOJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-7-9-12(13(14)11-15)10-8-6-4-2/h7-10,12-13,15H,3-6,11,14H2,1-2H3.
What are the key properties of 2-amino-3-pent-1-enyloct-4-en-1-ol?
2-amino-3-pent-1-enyloct-4-en-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pent-1-enyloct-4-en-1-ol is sourced from PubChem (CID 91225527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).