N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane

C12H25BrN2 — CID 145385176

IUPACN'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane
SMILESCC.CNCCN(C)/C(C)=C/C=C(\C)Br
InChIInChI=1S/C10H19BrN2.C2H6/c1-9(11)5-6-10(2)13(4)8-7-12-3;1-2/h5-6,12H,7-8H2,1-4H3;1-2H3/b9-5+,10-6+;
InChIKeyRXBAIIFOLCCDLD-QJQFWQJTSA-N
MW277.25 g/mol
LogP3.37
Rot. Bonds5

About N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane

N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane (PubChem CID 145385176) has the molecular formula C12H25BrN2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane.

Molecular Properties

Compound NameN'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane
PubChem CID145385176
Molecular FormulaC12H25BrN2
Molecular Weight277.25 g/mol
Exact Mass276.12
IUPAC NameN'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane
SMILESCC.CNCCN(C)/C(C)=C/C=C(\C)Br
InChIInChI=1S/C10H19BrN2.C2H6/c1-9(11)5-6-10(2)13(4)8-7-12-3;1-2/h5-6,12H,7-8H2,1-4H3;1-2H3/b9-5+,10-6+;
InChIKeyRXBAIIFOLCCDLD-QJQFWQJTSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine
CID 134406241
N'-[(2E,4E,6Z,8E,10Z)-7-ethyl-5-methyl-6-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]trideca-2,4,6,8,10,12-hexaen-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 167028364
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine;methanol
CID 144534922
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142870975
methyl-[2-(methylamino)ethyl]carbamothioic S-acid
CID 55299053
ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846291
2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 87509746
N'-[(3E)-3-chlorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 142349508
N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide
CID 134406748
ethane;(1E)-2-methyl-N-[1-[methyl-[2-(methylamino)ethyl]amino]ethenyl]prop-2-enimidoyl fluoride
CID 172632013
methyl-[2-(methylamino)ethyl]carbamic acid;2-methylpropane
CID 161126143
methane;N-methyl-2-(methylamino)-N-[2-(methylamino)ethyl]acetamide
CID 160845776

Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane?
The IUPAC name of N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane (CID 145385176) is N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane.
What is the SMILES notation for N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane?
The canonical SMILES for N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane is CC.CNCCN(C)/C(C)=C/C=C(\C)Br.
What is the InChIKey of N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane?
The InChIKey is RXBAIIFOLCCDLD-QJQFWQJTSA-N. The full InChI is InChI=1S/C10H19BrN2.C2H6/c1-9(11)5-6-10(2)13(4)8-7-12-3;1-2/h5-6,12H,7-8H2,1-4H3;1-2H3/b9-5+,10-6+;.
What are the key properties of N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane?
N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane has a molecular weight of 277.25 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane is sourced from PubChem (CID 145385176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).