(3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine

C12H21N — CID 142207024

IUPAC(3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine
SMILESC=CCC/C=C(\C=C)CCN(C)C
InChIInChI=1S/C12H21N/c1-5-7-8-9-12(6-2)10-11-13(3)4/h5-6,9H,1-2,7-8,10-11H2,3-4H3/b12-9+
InChIKeyCUYJLOLWMQGWOW-FMIVXFBMSA-N
MW179.31 g/mol
LogP3.02
Rot. Bonds7

About (3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine

(3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine (PubChem CID 142207024) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine.

Molecular Properties

Compound Name(3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine
PubChem CID142207024
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine
SMILESC=CCC/C=C(\C=C)CCN(C)C
InChIInChI=1S/C12H21N/c1-5-7-8-9-12(6-2)10-11-13(3)4/h5-6,9H,1-2,7-8,10-11H2,3-4H3/b12-9+
InChIKeyCUYJLOLWMQGWOW-FMIVXFBMSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
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 (3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine?
The IUPAC name of (3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine (CID 142207024) is (3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine.
What is the SMILES notation for (3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine?
The canonical SMILES for (3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine is C=CCC/C=C(\C=C)CCN(C)C.
What is the InChIKey of (3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine?
The InChIKey is CUYJLOLWMQGWOW-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H21N/c1-5-7-8-9-12(6-2)10-11-13(3)4/h5-6,9H,1-2,7-8,10-11H2,3-4H3/b12-9+.
What are the key properties of (3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine?
(3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-N,N-dimethylocta-3,7-dien-1-amine is sourced from PubChem (CID 142207024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).