(Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine

C13H24N2 — CID 142585427

IUPAC(Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine
SMILESC=C(/C=C\C(=C)CN(C)CC)CN(C)C
InChIInChI=1S/C13H24N2/c1-7-15(6)11-13(3)9-8-12(2)10-14(4)5/h8-9H,2-3,7,10-11H2,1,4-6H3/b9-8-
InChIKeyKNRSAVRANGVPPW-HJWRWDBZSA-N
MW208.35 g/mol
LogP2.17
Rot. Bonds7

About (Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine

(Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine (PubChem CID 142585427) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine.

Molecular Properties

Compound Name(Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine
PubChem CID142585427
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine
SMILESC=C(/C=C\C(=C)CN(C)CC)CN(C)C
InChIInChI=1S/C13H24N2/c1-7-15(6)11-13(3)9-8-12(2)10-14(4)5/h8-9H,2-3,7,10-11H2,1,4-6H3/b9-8-
InChIKeyKNRSAVRANGVPPW-HJWRWDBZSA-N
XLogP2.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
N,N-Diethyl-2-methylidenebut-3-en-1-amine
CID 14644961
o-Lithiodimethylbenzylamine
CID 10866427
2,6-Bis(dimethylaminomethyl)phenyllithium
CID 11830389
2-Methylidene-N,N-dipropylbut-3-en-1-amine
CID 18512648
2-Diethylaminomethylphenyllithium
CID 21399648
2-[(Diethylamino)methyl]phenylmagnesium bromide, 0.25M in THF
CID 57533218
2-(Cyclooctatetraenyl)ethyl-trimethylazanium
CID 91292553
3,5-dimethyl-N-butylpyridine
CID 141135275
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine
CID 130242890

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine?
The IUPAC name of (Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine (CID 142585427) is (Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine.
What is the SMILES notation for (Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine?
The canonical SMILES for (Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine is C=C(/C=C\C(=C)CN(C)CC)CN(C)C.
What is the InChIKey of (Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine?
The InChIKey is KNRSAVRANGVPPW-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H24N2/c1-7-15(6)11-13(3)9-8-12(2)10-14(4)5/h8-9H,2-3,7,10-11H2,1,4-6H3/b9-8-.
What are the key properties of (Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine?
(Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine has a molecular weight of 208.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine is sourced from PubChem (CID 142585427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).