(5E,7E)-1-aminotetradeca-5,7-dien-3-ol

C14H27NO — CID 20847519

IUPAC(5E,7E)-1-aminotetradeca-5,7-dien-3-ol
SMILESCCCCCC/C=C/C=C/CC(O)CCN
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h7-10,14,16H,2-6,11-13,15H2,1H3/b8-7+,10-9+
InChIKeyKWHZMDKDJRAKRU-XBLVEGMJSA-N
MW225.38 g/mol
LogP3.17
Rot. Bonds10

About (5E,7E)-1-aminotetradeca-5,7-dien-3-ol

(5E,7E)-1-aminotetradeca-5,7-dien-3-ol (PubChem CID 20847519) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (5E,7E)-1-aminotetradeca-5,7-dien-3-ol.

Molecular Properties

Compound Name(5E,7E)-1-aminotetradeca-5,7-dien-3-ol
PubChem CID20847519
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(5E,7E)-1-aminotetradeca-5,7-dien-3-ol
SMILESCCCCCC/C=C/C=C/CC(O)CCN
InChIInChI=1S/C14H27NO/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h7-10,14,16H,2-6,11-13,15H2,1H3/b8-7+,10-9+
InChIKeyKWHZMDKDJRAKRU-XBLVEGMJSA-N
XLogP3.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol
CID 46937367
(2R,3S,5E,9Z,12Z,15Z)-2-aminooctadeca-5,9,12,15,17-pentaen-3-ol
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crucigasterin A
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(r)-(e)-1-Aminotridec-5-en-2-ol
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(2R,3S,5E,7E)-2-aminotetradeca-5,7-dien-3-ol
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Frequently Asked Questions

What is the IUPAC name of (5E,7E)-1-aminotetradeca-5,7-dien-3-ol?
The IUPAC name of (5E,7E)-1-aminotetradeca-5,7-dien-3-ol (CID 20847519) is (5E,7E)-1-aminotetradeca-5,7-dien-3-ol.
What is the SMILES notation for (5E,7E)-1-aminotetradeca-5,7-dien-3-ol?
The canonical SMILES for (5E,7E)-1-aminotetradeca-5,7-dien-3-ol is CCCCCC/C=C/C=C/CC(O)CCN.
What is the InChIKey of (5E,7E)-1-aminotetradeca-5,7-dien-3-ol?
The InChIKey is KWHZMDKDJRAKRU-XBLVEGMJSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h7-10,14,16H,2-6,11-13,15H2,1H3/b8-7+,10-9+.
What are the key properties of (5E,7E)-1-aminotetradeca-5,7-dien-3-ol?
(5E,7E)-1-aminotetradeca-5,7-dien-3-ol has a molecular weight of 225.38 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-1-aminotetradeca-5,7-dien-3-ol is sourced from PubChem (CID 20847519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).