(3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine

C12H23N3 — CID 155721831

IUPAC(3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine
SMILESC=C(N)/C=C(/C)C(=C)N(C)CCN(C)C
InChIInChI=1S/C12H23N3/c1-10(9-11(2)13)12(3)15(6)8-7-14(4)5/h9H,2-3,7-8,13H2,1,4-6H3/b10-9-
InChIKeyCEOJKVXQZATLBN-KTKRTIGZSA-N
MW209.34 g/mol
LogP1.41
Rot. Bonds6

About (3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine

(3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine (PubChem CID 155721831) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine.

Molecular Properties

Compound Name(3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine
PubChem CID155721831
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine
SMILESC=C(N)/C=C(/C)C(=C)N(C)CCN(C)C
InChIInChI=1S/C12H23N3/c1-10(9-11(2)13)12(3)15(6)8-7-14(4)5/h9H,2-3,7-8,13H2,1,4-6H3/b10-9-
InChIKeyCEOJKVXQZATLBN-KTKRTIGZSA-N
XLogP1.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine
CID 134406427
N'-[(3E)-4,5-dichlorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142129032
N,N,N'-trimethyl-N'-(6-methylhepta-1,5-dien-2-yl)ethane-1,2-diamine
CID 142886831
ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143958189
1-N,1-N-dimethylbut-3-ene-1,3-diamine
CID 143041369
(3Z)-penta-1,3-diene-2,4-diamine;propane
CID 144731148
(2E,3Z)-2-ethylidene-5-[ethyl(methyl)amino]-4-methylhexa-3,5-dienenitrile
CID 170720884
N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine
CID 160608362
3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 79006437
2-(dimethylamino)ethyl 2,5-dimethyl-4-oxohexa-2,5-dienoate
CID 139703809
1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine
CID 172938498

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine?
The IUPAC name of (3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine (CID 155721831) is (3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine.
What is the SMILES notation for (3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine?
The canonical SMILES for (3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine is C=C(N)/C=C(/C)C(=C)N(C)CCN(C)C.
What is the InChIKey of (3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine?
The InChIKey is CEOJKVXQZATLBN-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(9-11(2)13)12(3)15(6)8-7-14(4)5/h9H,2-3,7-8,13H2,1,4-6H3/b10-9-.
What are the key properties of (3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine?
(3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine has a molecular weight of 209.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine is sourced from PubChem (CID 155721831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).