(1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine

C12H24N2 — CID 141423827

IUPAC(1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine
SMILESCN(C)/C=C/CCCC/C=C/N(C)C
InChIInChI=1S/C12H24N2/c1-13(2)11-9-7-5-6-8-10-12-14(3)4/h9-12H,5-8H2,1-4H3/b11-9+,12-10+
InChIKeyCNNGZVLCNKEJGH-WGDLNXRISA-N
MW196.34 g/mol
LogP2.70
Rot. Bonds7

About (1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine

(1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine (PubChem CID 141423827) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine.

Molecular Properties

Compound Name(1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine
PubChem CID141423827
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine
SMILESCN(C)/C=C/CCCC/C=C/N(C)C
InChIInChI=1S/C12H24N2/c1-13(2)11-9-7-5-6-8-10-12-14(3)4/h9-12H,5-8H2,1-4H3/b11-9+,12-10+
InChIKeyCNNGZVLCNKEJGH-WGDLNXRISA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N-dimethylpentadec-1-en-1-amine
CID 22930940
N,N-dimethyloct-1-en-1-amine
CID 54004302
N,N-dimethyltetradec-1-en-1-amine;propane
CID 173220262
5-(dimethylamino)pent-4-en-1-ol
CID 123150566
N-methyl-N-oct-1-enyloct-1-en-1-amine
CID 74019016
(E)-N,N,N',N'-tetramethylprop-1-ene-1,3-diamine
CID 6444340
(E)-3-fluoro-N,N-dimethylprop-1-en-1-amine
CID 101435123
(E)-N-ethyl-N-methyldec-1-en-1-amine
CID 14389662
N-methyl-N-oct-1-enylnon-2-en-1-amine
CID 175378842
N,N-diethyltetradec-1-en-1-amine
CID 54402906
ethane;(Z)-3-methoxy-N,N-dimethylprop-1-en-1-amine
CID 143551220
N,N-dimethylpent-1-en-1-amine;prop-2-enamide
CID 175286985

Frequently Asked Questions

What is the IUPAC name of (1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine?
The IUPAC name of (1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine (CID 141423827) is (1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine.
What is the SMILES notation for (1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine?
The canonical SMILES for (1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine is CN(C)/C=C/CCCC/C=C/N(C)C.
What is the InChIKey of (1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine?
The InChIKey is CNNGZVLCNKEJGH-WGDLNXRISA-N. The full InChI is InChI=1S/C12H24N2/c1-13(2)11-9-7-5-6-8-10-12-14(3)4/h9-12H,5-8H2,1-4H3/b11-9+,12-10+.
What are the key properties of (1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine?
(1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine is sourced from PubChem (CID 141423827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).