(2S,3E,5Z)-dodeca-3,5-dien-2-amine

C12H23N — CID 162852825

IUPAC(2S,3E,5Z)-dodeca-3,5-dien-2-amine
SMILESCCCCCC/C=C\C=C\[C@H](C)N
InChIInChI=1S/C12H23N/c1-3-4-5-6-7-8-9-10-11-12(2)13/h8-12H,3-7,13H2,1-2H3/b9-8-,11-10+/t12-/m0/s1
InChIKeyLNNSMFKRGGYANY-LKILQSAUSA-N
MW181.32 g/mol
LogP3.42
Rot. Bonds7

About (2S,3E,5Z)-dodeca-3,5-dien-2-amine

(2S,3E,5Z)-dodeca-3,5-dien-2-amine (PubChem CID 162852825) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (2S,3E,5Z)-dodeca-3,5-dien-2-amine.

Molecular Properties

Compound Name(2S,3E,5Z)-dodeca-3,5-dien-2-amine
PubChem CID162852825
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(2S,3E,5Z)-dodeca-3,5-dien-2-amine
SMILESCCCCCC/C=C\C=C\[C@H](C)N
InChIInChI=1S/C12H23N/c1-3-4-5-6-7-8-9-10-11-12(2)13/h8-12H,3-7,13H2,1-2H3/b9-8-,11-10+/t12-/m0/s1
InChIKeyLNNSMFKRGGYANY-LKILQSAUSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-dodeca-3,5-dien-2-amine?
The IUPAC name of (2S,3E,5Z)-dodeca-3,5-dien-2-amine (CID 162852825) is (2S,3E,5Z)-dodeca-3,5-dien-2-amine.
What is the SMILES notation for (2S,3E,5Z)-dodeca-3,5-dien-2-amine?
The canonical SMILES for (2S,3E,5Z)-dodeca-3,5-dien-2-amine is CCCCCC/C=C\C=C\[C@H](C)N.
What is the InChIKey of (2S,3E,5Z)-dodeca-3,5-dien-2-amine?
The InChIKey is LNNSMFKRGGYANY-LKILQSAUSA-N. The full InChI is InChI=1S/C12H23N/c1-3-4-5-6-7-8-9-10-11-12(2)13/h8-12H,3-7,13H2,1-2H3/b9-8-,11-10+/t12-/m0/s1.
What are the key properties of (2S,3E,5Z)-dodeca-3,5-dien-2-amine?
(2S,3E,5Z)-dodeca-3,5-dien-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E,5Z)-dodeca-3,5-dien-2-amine is sourced from PubChem (CID 162852825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).