2-bromo-N,N-diethylcyclohex-2-en-1-amine

C10H18BrN — CID 86189843

IUPAC2-bromo-N,N-diethylcyclohex-2-en-1-amine
SMILESCCN(CC)C1CCCC=C1Br
InChIInChI=1S/C10H18BrN/c1-3-12(4-2)10-8-6-5-7-9(10)11/h7,10H,3-6,8H2,1-2H3
InChIKeyFIXDXYBCZKWIQP-UHFFFAOYSA-N
MW232.16 g/mol
LogP3.16
Rot. Bonds3

About 2-bromo-N,N-diethylcyclohex-2-en-1-amine

2-bromo-N,N-diethylcyclohex-2-en-1-amine (PubChem CID 86189843) has the molecular formula C10H18BrN and a molecular weight of 232.16 g/mol. Its IUPAC name is 2-bromo-N,N-diethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N,N-diethylcyclohex-2-en-1-amine
PubChem CID86189843
Molecular FormulaC10H18BrN
Molecular Weight232.16 g/mol
Exact Mass231.06
IUPAC Name2-bromo-N,N-diethylcyclohex-2-en-1-amine
SMILESCCN(CC)C1CCCC=C1Br
InChIInChI=1S/C10H18BrN/c1-3-12(4-2)10-8-6-5-7-9(10)11/h7,10H,3-6,8H2,1-2H3
InChIKeyFIXDXYBCZKWIQP-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromocyclohex-2-en-1-olate
CID 135037886
2-(2-bromocyclohex-2-en-1-yl)ethanol
CID 11769633
(1Z)-1-bromo-10-methoxycyclodecene
CID 177447213
(1Z)-1-bromo-12-methoxycyclododecene
CID 177447316
(8R)-1,8-dibromocyclooctene
CID 129408234
N-(cyclohexen-1-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]-N-ethylacetamide
CID 60967635
(2-bromocyclohex-2-en-1-yl)benzene
CID 90941023
1-(2-bromocyclohex-2-en-1-yl)oxy-3-ethylbenzene
CID 135085868
tert-butyl 2-(2-bromocyclohex-2-en-1-yl)acetate
CID 10880330
N,N-diethylcyclobutanamine;ethane
CID 170746144
[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]methanol
CID 110008184
lithium 6-ethylcyclohexen-1-olate
CID 134976010

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-diethylcyclohex-2-en-1-amine?
The IUPAC name of 2-bromo-N,N-diethylcyclohex-2-en-1-amine (CID 86189843) is 2-bromo-N,N-diethylcyclohex-2-en-1-amine.
What is the SMILES notation for 2-bromo-N,N-diethylcyclohex-2-en-1-amine?
The canonical SMILES for 2-bromo-N,N-diethylcyclohex-2-en-1-amine is CCN(CC)C1CCCC=C1Br.
What is the InChIKey of 2-bromo-N,N-diethylcyclohex-2-en-1-amine?
The InChIKey is FIXDXYBCZKWIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN/c1-3-12(4-2)10-8-6-5-7-9(10)11/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2-bromo-N,N-diethylcyclohex-2-en-1-amine?
2-bromo-N,N-diethylcyclohex-2-en-1-amine has a molecular weight of 232.16 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-diethylcyclohex-2-en-1-amine is sourced from PubChem (CID 86189843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).