(E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine

C5H11BrN2 — CID 131978464

IUPAC(E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine
SMILESCN/C(Br)=C\N(C)C
InChIInChI=1S/C5H11BrN2/c1-7-5(6)4-8(2)3/h4,7H,1-3H3/b5-4-
InChIKeyIXSZLJATWWHZHA-PLNGDYQASA-N
MW179.06 g/mol
LogP0.96
Rot. Bonds2

About (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine

(E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine (PubChem CID 131978464) has the molecular formula C5H11BrN2 and a molecular weight of 179.06 g/mol. Its IUPAC name is (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine
PubChem CID131978464
Molecular FormulaC5H11BrN2
Molecular Weight179.06 g/mol
Exact Mass178.01
IUPAC Name(E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine
SMILESCN/C(Br)=C\N(C)C
InChIInChI=1S/C5H11BrN2/c1-7-5(6)4-8(2)3/h4,7H,1-3H3/b5-4-
InChIKeyIXSZLJATWWHZHA-PLNGDYQASA-N
XLogP0.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(1E)-2-bromo-N,N-dimethylbuta-1,3-dien-1-amine
CID 153037895
(Z)-1-(dimethylamino)-3,3-dimethylbut-1-en-2-ol
CID 165157103
2-cyano-3-(dimethylamino)-N-methylprop-2-enamide
CID 3467239
(Z)-1-N,1-N-dimethylprop-1-ene-1,2-diamine
CID 88777001
(Z)-1-N,1-N,4-N-trimethylbut-1-ene-1,2,4-triamine
CID 143220567
(E)-1-bromo-3-chloro-3-hydrazinyl-N-methylprop-1-en-1-amine
CID 146393153
N,N-dimethylmethanimidamide;N-methylhydroxylamine
CID 156650202
(E)-2-[amino(methyl)amino]-1-N'-methylethene-1,1-diamine
CID 155247228
(Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide
CID 142157976
[(Z)-2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate
CID 71601971
3-(dimethylamino)-2-methoxyprop-2-enal
CID 29417541
(Z)-3-(dimethylamino)-2-methoxyprop-2-enal
CID 13018403

Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine?
The IUPAC name of (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine (CID 131978464) is (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine.
What is the SMILES notation for (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine?
The canonical SMILES for (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine is CN/C(Br)=C\N(C)C.
What is the InChIKey of (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine?
The InChIKey is IXSZLJATWWHZHA-PLNGDYQASA-N. The full InChI is InChI=1S/C5H11BrN2/c1-7-5(6)4-8(2)3/h4,7H,1-3H3/b5-4-.
What are the key properties of (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine?
(E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine has a molecular weight of 179.06 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine is sourced from PubChem (CID 131978464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).