1-aminotridec-4-en-2-ol

C13H27NO — CID 73116703

IUPAC1-aminotridec-4-en-2-ol
SMILESCCCCCCCCC=CCC(O)CN
InChIInChI=1S/C13H27NO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h9-10,13,15H,2-8,11-12,14H2,1H3
InChIKeyZNNWOAILTFOQSW-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.00
Rot. Bonds10

About 1-aminotridec-4-en-2-ol

1-aminotridec-4-en-2-ol (PubChem CID 73116703) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-aminotridec-4-en-2-ol.

Molecular Properties

Compound Name1-aminotridec-4-en-2-ol
PubChem CID73116703
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-aminotridec-4-en-2-ol
SMILESCCCCCCCCC=CCC(O)CN
InChIInChI=1S/C13H27NO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h9-10,13,15H,2-8,11-12,14H2,1H3
InChIKeyZNNWOAILTFOQSW-UHFFFAOYSA-N
XLogP3.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.00
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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Related Compounds

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(E,10S)-henicos-7-en-10-ol
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(E)-dec-4-ene-1,2-diol
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(Z,3R)-3-hydroxydodec-5-enal
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(2R,4R)-nonadec-6-ene-1,2,4-triol
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(E,2S,4R)-nonadec-6-ene-1,2,4-triol
CID 56590714
1-aminopropan-2-ol;(Z)-octadec-9-en-1-amine
CID 174940034
3-hydroxytetradec-5-enoic acid
CID 73443469
(Z)-tridec-8-en-6-ol
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Frequently Asked Questions

What is the IUPAC name of 1-aminotridec-4-en-2-ol?
The IUPAC name of 1-aminotridec-4-en-2-ol (CID 73116703) is 1-aminotridec-4-en-2-ol.
What is the SMILES notation for 1-aminotridec-4-en-2-ol?
The canonical SMILES for 1-aminotridec-4-en-2-ol is CCCCCCCCC=CCC(O)CN.
What is the InChIKey of 1-aminotridec-4-en-2-ol?
The InChIKey is ZNNWOAILTFOQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h9-10,13,15H,2-8,11-12,14H2,1H3.
What are the key properties of 1-aminotridec-4-en-2-ol?
1-aminotridec-4-en-2-ol has a molecular weight of 213.36 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminotridec-4-en-2-ol is sourced from PubChem (CID 73116703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).