(2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine

C14H25N — CID 11117250

IUPAC(2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine
SMILESC=CCCCCCC/C=C\C=C\[C@H](C)N
InChIInChI=1S/C14H25N/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3,10-14H,1,4-9,15H2,2H3/b11-10-,13-12+/t14-/m0/s1
InChIKeyHHJQIQYLOSKHKZ-PYHSYVAASA-N
MW207.36 g/mol
LogP3.97
Rot. Bonds9

About (2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine

(2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine (PubChem CID 11117250) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine.

Molecular Properties

Compound Name(2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine
PubChem CID11117250
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine
SMILESC=CCCCCCC/C=C\C=C\[C@H](C)N
InChIInChI=1S/C14H25N/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3,10-14H,1,4-9,15H2,2H3/b11-10-,13-12+/t14-/m0/s1
InChIKeyHHJQIQYLOSKHKZ-PYHSYVAASA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine?
The IUPAC name of (2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine (CID 11117250) is (2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine.
What is the SMILES notation for (2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine?
The canonical SMILES for (2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine is C=CCCCCCC/C=C\C=C\[C@H](C)N.
What is the InChIKey of (2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine?
The InChIKey is HHJQIQYLOSKHKZ-PYHSYVAASA-N. The full InChI is InChI=1S/C14H25N/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3,10-14H,1,4-9,15H2,2H3/b11-10-,13-12+/t14-/m0/s1.
What are the key properties of (2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine?
(2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine has a molecular weight of 207.36 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E,5Z)-tetradeca-3,5,13-trien-2-amine is sourced from PubChem (CID 11117250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).