(2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol

C14H27NO — CID 46937367

IUPAC(2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol
SMILESC=CCCCCCC/C=C\C[C@H](O)[C@H](C)N
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,10-11,13-14,16H,1,4-9,12,15H2,2H3/b11-10-/t13-,14-/m0/s1
InChIKeyGRWYXVVLXCKOLO-VSERSJBDSA-N
MW225.38 g/mol
LogP3.17
Rot. Bonds10

About (2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol

(2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol (PubChem CID 46937367) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol.

Molecular Properties

Compound Name(2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol
PubChem CID46937367
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol
SMILESC=CCCCCCC/C=C\C[C@H](O)[C@H](C)N
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,10-11,13-14,16H,1,4-9,12,15H2,2H3/b11-10-/t13-,14-/m0/s1
InChIKeyGRWYXVVLXCKOLO-VSERSJBDSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol?
The IUPAC name of (2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol (CID 46937367) is (2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol.
What is the SMILES notation for (2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol?
The canonical SMILES for (2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol is C=CCCCCCC/C=C\C[C@H](O)[C@H](C)N.
What is the InChIKey of (2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol?
The InChIKey is GRWYXVVLXCKOLO-VSERSJBDSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,10-11,13-14,16H,1,4-9,12,15H2,2H3/b11-10-/t13-,14-/m0/s1.
What are the key properties of (2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol?
(2S,3S,5Z)-2-aminotetradeca-5,13-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 (2S,3S,5Z)-2-aminotetradeca-5,13-dien-3-ol is sourced from PubChem (CID 46937367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).