N-(2,3-dibromopropyl)-2-ethylbutan-1-imine

C9H17Br2N — CID 10968551

IUPACN-(2,3-dibromopropyl)-2-ethylbutan-1-imine
SMILESCCC(/C=N/CC(Br)CBr)CC
InChIInChI=1S/C9H17Br2N/c1-3-8(4-2)6-12-7-9(11)5-10/h6,8-9H,3-5,7H2,1-2H3/b12-6+
InChIKeyMPOWKADHMSXKLB-WUXMJOGZSA-N
MW299.05 g/mol
LogP3.65
Rot. Bonds6

About N-(2,3-dibromopropyl)-2-ethylbutan-1-imine

N-(2,3-dibromopropyl)-2-ethylbutan-1-imine (PubChem CID 10968551) has the molecular formula C9H17Br2N and a molecular weight of 299.05 g/mol. Its IUPAC name is N-(2,3-dibromopropyl)-2-ethylbutan-1-imine.

Molecular Properties

Compound NameN-(2,3-dibromopropyl)-2-ethylbutan-1-imine
PubChem CID10968551
Molecular FormulaC9H17Br2N
Molecular Weight299.05 g/mol
Exact Mass296.97
IUPAC NameN-(2,3-dibromopropyl)-2-ethylbutan-1-imine
SMILESCCC(/C=N/CC(Br)CBr)CC
InChIInChI=1S/C9H17Br2N/c1-3-8(4-2)6-12-7-9(11)5-10/h6,8-9H,3-5,7H2,1-2H3/b12-6+
InChIKeyMPOWKADHMSXKLB-WUXMJOGZSA-N
XLogP3.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.05
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromopropyl)-2-ethylbutan-1-imine
CID 134884116
(Z)-2-ethylbutylidenehydrazine
CID 101206874
(NE)-N-(2-ethylbutylidene)hydroxylamine
CID 5354129
3-bromopentane
CID 15738
CID 89393040
CID 89393040
(NE)-N-(2-ethylhexylidene)hydroxylamine
CID 11252077
1,4-dibromononane
CID 123668754
4-bromo-3-(bromomethyl)heptane
CID 131843184
N-butyl-2-ethyl-3-methylbutan-1-imine
CID 167084684
1-chloropentane;2,3-dibromopropylphosphane
CID 174871582
2,3-dibromopropylazanium
CID 162419213
2,3-dibromopropylphosphane
CID 150365341

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dibromopropyl)-2-ethylbutan-1-imine?
The IUPAC name of N-(2,3-dibromopropyl)-2-ethylbutan-1-imine (CID 10968551) is N-(2,3-dibromopropyl)-2-ethylbutan-1-imine.
What is the SMILES notation for N-(2,3-dibromopropyl)-2-ethylbutan-1-imine?
The canonical SMILES for N-(2,3-dibromopropyl)-2-ethylbutan-1-imine is CCC(/C=N/CC(Br)CBr)CC.
What is the InChIKey of N-(2,3-dibromopropyl)-2-ethylbutan-1-imine?
The InChIKey is MPOWKADHMSXKLB-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H17Br2N/c1-3-8(4-2)6-12-7-9(11)5-10/h6,8-9H,3-5,7H2,1-2H3/b12-6+.
What are the key properties of N-(2,3-dibromopropyl)-2-ethylbutan-1-imine?
N-(2,3-dibromopropyl)-2-ethylbutan-1-imine has a molecular weight of 299.05 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dibromopropyl)-2-ethylbutan-1-imine is sourced from PubChem (CID 10968551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).