(2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine

C16H27N — CID 10955476

IUPAC(2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine
SMILESCC/C=C\C/C=C\CCC/C=C/C=C/[C@@H](C)N
InChIInChI=1S/C16H27N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h4-5,7-8,12-16H,3,6,9-11,17H2,1-2H3/b5-4-,8-7-,13-12+,15-14+/t16-/m1/s1
InChIKeyCAQDPQJOTXLPLY-UFMKCALMSA-N
MW233.40 g/mol
LogP4.53
Rot. Bonds9

About (2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine

(2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine (PubChem CID 10955476) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine.

Molecular Properties

Compound Name(2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine
PubChem CID10955476
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine
SMILESCC/C=C\C/C=C\CCC/C=C/C=C/[C@@H](C)N
InChIInChI=1S/C16H27N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h4-5,7-8,12-16H,3,6,9-11,17H2,1-2H3/b5-4-,8-7-,13-12+,15-14+/t16-/m1/s1
InChIKeyCAQDPQJOTXLPLY-UFMKCALMSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.53
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 (2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine?
The IUPAC name of (2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine (CID 10955476) is (2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine.
What is the SMILES notation for (2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine?
The canonical SMILES for (2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine is CC/C=C\C/C=C\CCC/C=C/C=C/[C@@H](C)N.
What is the InChIKey of (2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine?
The InChIKey is CAQDPQJOTXLPLY-UFMKCALMSA-N. The full InChI is InChI=1S/C16H27N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h4-5,7-8,12-16H,3,6,9-11,17H2,1-2H3/b5-4-,8-7-,13-12+,15-14+/t16-/m1/s1.
What are the key properties of (2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine?
(2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,5E,10Z,13Z)-hexadeca-3,5,10,13-tetraen-2-amine is sourced from PubChem (CID 10955476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).