N-(3-bromopropyl)-2-ethylbutan-1-imine

C9H18BrN — CID 134884116

IUPACN-(3-bromopropyl)-2-ethylbutan-1-imine
SMILESCCC(/C=N/CCCBr)CC
InChIInChI=1S/C9H18BrN/c1-3-9(4-2)8-11-7-5-6-10/h8-9H,3-7H2,1-2H3/b11-8+
InChIKeyCDLRCCJRLWIQBE-DHZHZOJOSA-N
MW220.15 g/mol
LogP3.28
Rot. Bonds6

About N-(3-bromopropyl)-2-ethylbutan-1-imine

N-(3-bromopropyl)-2-ethylbutan-1-imine (PubChem CID 134884116) has the molecular formula C9H18BrN and a molecular weight of 220.15 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-ethylbutan-1-imine.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-ethylbutan-1-imine
PubChem CID134884116
Molecular FormulaC9H18BrN
Molecular Weight220.15 g/mol
Exact Mass219.06
IUPAC NameN-(3-bromopropyl)-2-ethylbutan-1-imine
SMILESCCC(/C=N/CCCBr)CC
InChIInChI=1S/C9H18BrN/c1-3-9(4-2)8-11-7-5-6-10/h8-9H,3-7H2,1-2H3/b11-8+
InChIKeyCDLRCCJRLWIQBE-DHZHZOJOSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-bromopropyl)-2-ethylbutan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dibromopropyl)-2-ethylbutan-1-imine
CID 10968551
N-butyl-2-ethyl-3-methylbutan-1-imine
CID 167084684
(Z)-2-ethylbutylidenehydrazine
CID 101206874
(NE)-N-(2-ethylbutylidene)hydroxylamine
CID 5354129
N-butylethanimine;ethane
CID 142024896
1-bromobutane;dihydrochloride
CID 172714525
1-bromobutane;phosphane
CID 87070199
(NE)-N-(2-ethylhexylidene)hydroxylamine
CID 11252077
(2R,3R,4S,5S)-6-butylimino-2-ethylhexane-1,3,4,5-tetrol
CID 87995715
15-(3-bromopropyl)hentriacontane
CID 18674718
1,4-dibromononane
CID 123668754
9-(3-bromopropyl)nonadecane
CID 141467595

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-ethylbutan-1-imine?
The IUPAC name of N-(3-bromopropyl)-2-ethylbutan-1-imine (CID 134884116) is N-(3-bromopropyl)-2-ethylbutan-1-imine.
What is the SMILES notation for N-(3-bromopropyl)-2-ethylbutan-1-imine?
The canonical SMILES for N-(3-bromopropyl)-2-ethylbutan-1-imine is CCC(/C=N/CCCBr)CC.
What is the InChIKey of N-(3-bromopropyl)-2-ethylbutan-1-imine?
The InChIKey is CDLRCCJRLWIQBE-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H18BrN/c1-3-9(4-2)8-11-7-5-6-10/h8-9H,3-7H2,1-2H3/b11-8+.
What are the key properties of N-(3-bromopropyl)-2-ethylbutan-1-imine?
N-(3-bromopropyl)-2-ethylbutan-1-imine has a molecular weight of 220.15 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-ethylbutan-1-imine is sourced from PubChem (CID 134884116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).