dodeca-3,5-dien-2-amine

C12H23N — CID 72740287

IUPACdodeca-3,5-dien-2-amine
SMILESCCCCCCC=CC=CC(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
InChIKeyLNNSMFKRGGYANY-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.42
Rot. Bonds7

About dodeca-3,5-dien-2-amine

dodeca-3,5-dien-2-amine (PubChem CID 72740287) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is dodeca-3,5-dien-2-amine.

Molecular Properties

Compound Namedodeca-3,5-dien-2-amine
PubChem CID72740287
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Namedodeca-3,5-dien-2-amine
SMILESCCCCCCC=CC=CC(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
InChIKeyLNNSMFKRGGYANY-UHFFFAOYSA-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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Related Compounds

(3E,5Z)-dodeca-3,5-dien-2-amine
CID 14864066
2-methylhexadeca-3,5-diene
CID 140995829
(3E,5E)-tetradeca-3,5,13-trien-2-amine
CID 14864063
(22E)-heptatetraconta-22,24-diene
CID 56629131
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
henicosa-2,4,6,8,10-pentaene-1,1-diol
CID 141316228
(2S,3S,4E,6E)-2-aminooctadeca-4,6-diene-1,3-diol
CID 42608376
(6E)-octadeca-4,6-diene
CID 173243345
(4E,6E)-3-aminotrideca-4,6-dienamide
CID 170875725
henicos-4-ene-2,3-diamine
CID 54561895
1-N'-non-1-enylethane-1,1-diamine
CID 141374365

Frequently Asked Questions

What is the IUPAC name of dodeca-3,5-dien-2-amine?
The IUPAC name of dodeca-3,5-dien-2-amine (CID 72740287) is dodeca-3,5-dien-2-amine.
What is the SMILES notation for dodeca-3,5-dien-2-amine?
The canonical SMILES for dodeca-3,5-dien-2-amine is CCCCCCC=CC=CC(C)N.
What is the InChIKey of dodeca-3,5-dien-2-amine?
The InChIKey is LNNSMFKRGGYANY-UHFFFAOYSA-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.
What are the key properties of dodeca-3,5-dien-2-amine?
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 dodeca-3,5-dien-2-amine is sourced from PubChem (CID 72740287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).