(3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine

C7H12BrN — CID 166982153

IUPAC(3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine
SMILESC=C(/C=C/CBr)N(C)C
InChIInChI=1S/C7H12BrN/c1-7(9(2)3)5-4-6-8/h4-5H,1,6H2,2-3H3/b5-4+
InChIKeyZFSNJYZZBJOLKQ-SNAWJCMRSA-N
MW190.08 g/mol
LogP2.01
Rot. Bonds3

About (3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine

(3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine (PubChem CID 166982153) has the molecular formula C7H12BrN and a molecular weight of 190.08 g/mol. Its IUPAC name is (3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine
PubChem CID166982153
Molecular FormulaC7H12BrN
Molecular Weight190.08 g/mol
Exact Mass189.02
IUPAC Name(3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine
SMILESC=C(/C=C/CBr)N(C)C
InChIInChI=1S/C7H12BrN/c1-7(9(2)3)5-4-6-8/h4-5H,1,6H2,2-3H3/b5-4+
InChIKeyZFSNJYZZBJOLKQ-SNAWJCMRSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.08
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-4-(dimethylamino)penta-2,4-dienal
CID 45087254
(3Z)-5-[tert-butyl(ethyl)phosphanyl]-N,N-dimethylhexa-1,3,5-trien-2-amine
CID 144813242
(3Z,5E)-2-N,2-N-dimethylhepta-1,3,5-triene-2,5-diamine
CID 134313131
4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine
CID 123366460
(E)-4-bromo-N-methyl-N-(2-oxoethyl)but-2-enamide
CID 170592880
(E)-4-bromobut-2-enamide;ethane
CID 145199796
(E)-6-bromo-2-methylhex-4-en-3-one;ethane
CID 168909812
ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846291
N-ethyl-N-methylbuta-1,3-dien-2-amine
CID 123199652
aluminum tris((E)-4-bromobut-2-enoate)
CID 162208468
(3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine
CID 155240504
(E)-3-[(Z)-3-bromoprop-1-enyl]hex-3-en-2-one;ethene
CID 144806121

Frequently Asked Questions

What is the IUPAC name of (3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine?
The IUPAC name of (3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine (CID 166982153) is (3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine?
The canonical SMILES for (3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine is C=C(/C=C/CBr)N(C)C.
What is the InChIKey of (3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine?
The InChIKey is ZFSNJYZZBJOLKQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H12BrN/c1-7(9(2)3)5-4-6-8/h4-5H,1,6H2,2-3H3/b5-4+.
What are the key properties of (3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine?
(3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine has a molecular weight of 190.08 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-bromo-N,N-dimethylpenta-1,3-dien-2-amine is sourced from PubChem (CID 166982153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).