(E)-3-bromo-N,N-dimethylprop-2-en-1-amine

C5H10BrN — CID 23271071

IUPAC(E)-3-bromo-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)C/C=C/Br
InChIInChI=1S/C5H10BrN/c1-7(2)5-3-4-6/h3-4H,5H2,1-2H3/b4-3+
InChIKeyIQUZWVSCEFCUJB-ONEGZZNKSA-N
MW164.05 g/mol
LogP1.46
Rot. Bonds2

About (E)-3-bromo-N,N-dimethylprop-2-en-1-amine

(E)-3-bromo-N,N-dimethylprop-2-en-1-amine (PubChem CID 23271071) has the molecular formula C5H10BrN and a molecular weight of 164.05 g/mol. Its IUPAC name is (E)-3-bromo-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-bromo-N,N-dimethylprop-2-en-1-amine
PubChem CID23271071
Molecular FormulaC5H10BrN
Molecular Weight164.05 g/mol
Exact Mass163.00
IUPAC Name(E)-3-bromo-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)C/C=C/Br
InChIInChI=1S/C5H10BrN/c1-7(2)5-3-4-6/h3-4H,5H2,1-2H3/b4-3+
InChIKeyIQUZWVSCEFCUJB-ONEGZZNKSA-N
XLogP1.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N,N,N',N'-tetramethylprop-1-ene-1,3-diamine
CID 6444340
3-(dimethylamino)prop-1-en-1-ol
CID 173098720
bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine
CID 142309153
(E)-N,N-dimethylpent-2-en-1-amine;hydrochloride
CID 155386408
(2E,4E)-N,N-dimethylhexa-2,4-dien-1-amine
CID 12628261
N,N-dimethyl-3-trimethylsilylprop-2-en-1-amine;hydrochloride
CID 175180084
5-(dimethylamino)pent-3-enal
CID 174058957
(E)-5-(dimethylamino)pent-3-en-2-ol
CID 130122470
3-ethoxy-N,N-dimethylprop-2-en-1-amine
CID 138108716
3-(dimethylamino)prop-1-enyl-trimethylazanium;chloride;hydrochloride
CID 173447358
(E)-3-[ethyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylprop-2-en-1-amine
CID 174286816
1-N',1-N',4-N,4-N-tetramethylbut-2-ene-1,1,4-triamine
CID 173451516

Frequently Asked Questions

What is the IUPAC name of (E)-3-bromo-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of (E)-3-bromo-N,N-dimethylprop-2-en-1-amine (CID 23271071) is (E)-3-bromo-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-bromo-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for (E)-3-bromo-N,N-dimethylprop-2-en-1-amine is CN(C)C/C=C/Br.
What is the InChIKey of (E)-3-bromo-N,N-dimethylprop-2-en-1-amine?
The InChIKey is IQUZWVSCEFCUJB-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H10BrN/c1-7(2)5-3-4-6/h3-4H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-3-bromo-N,N-dimethylprop-2-en-1-amine?
(E)-3-bromo-N,N-dimethylprop-2-en-1-amine has a molecular weight of 164.05 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-bromo-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 23271071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).