(4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine

C12H22N2 — CID 143494835

IUPAC(4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine
SMILESC=C/C(=C\C=C/C)CC(N)CN(C)C
InChIInChI=1S/C12H22N2/c1-5-7-8-11(6-2)9-12(13)10-14(3)4/h5-8,12H,2,9-10,13H2,1,3-4H3/b7-5-,11-8+
InChIKeyFENDCDQBWCRHCN-UKJSTWFMSA-N
MW194.32 g/mol
LogP1.95
Rot. Bonds6

About (4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine

(4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine (PubChem CID 143494835) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine.

Molecular Properties

Compound Name(4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine
PubChem CID143494835
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine
SMILESC=C/C(=C\C=C/C)CC(N)CN(C)C
InChIInChI=1S/C12H22N2/c1-5-7-8-11(6-2)9-12(13)10-14(3)4/h5-8,12H,2,9-10,13H2,1,3-4H3/b7-5-,11-8+
InChIKeyFENDCDQBWCRHCN-UKJSTWFMSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine?
The IUPAC name of (4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine (CID 143494835) is (4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine.
What is the SMILES notation for (4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine?
The canonical SMILES for (4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine is C=C/C(=C\C=C/C)CC(N)CN(C)C.
What is the InChIKey of (4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine?
The InChIKey is FENDCDQBWCRHCN-UKJSTWFMSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-7-8-11(6-2)9-12(13)10-14(3)4/h5-8,12H,2,9-10,13H2,1,3-4H3/b7-5-,11-8+.
What are the key properties of (4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine?
(4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine has a molecular weight of 194.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine is sourced from PubChem (CID 143494835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).