N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine

C10H21BrN2 — CID 102861077

IUPACN'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(CCBr)C1CCC1
InChIInChI=1S/C10H21BrN2/c1-12(2)8-9-13(7-6-11)10-4-3-5-10/h10H,3-9H2,1-2H3
InChIKeyAXOBKCHLRFBHHW-UHFFFAOYSA-N
MW249.20 g/mol
LogP1.80
Rot. Bonds6

About N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine

N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine (PubChem CID 102861077) has the molecular formula C10H21BrN2 and a molecular weight of 249.20 g/mol. Its IUPAC name is N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine
PubChem CID102861077
Molecular FormulaC10H21BrN2
Molecular Weight249.20 g/mol
Exact Mass248.09
IUPAC NameN'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(CCBr)C1CCC1
InChIInChI=1S/C10H21BrN2/c1-12(2)8-9-13(7-6-11)10-4-3-5-10/h10H,3-9H2,1-2H3
InChIKeyAXOBKCHLRFBHHW-UHFFFAOYSA-N
XLogP1.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine
CID 114526677
N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine
CID 102860767
N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine
CID 102860754
N-(2-bromoethyl)-N-pentylcyclobutanamine
CID 102860969
N-(2-bromoethyl)-N-(cyclobutylmethyl)cyclopentanamine
CID 80672742
N-(2-bromoethyl)-N-dodecylcyclobutanamine
CID 102860890
N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine
CID 80674486
N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine
CID 106731454
N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine
CID 106731144
N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
CID 102860799
N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine
CID 107913798
N-(2-bromoethyl)-N-[(E)-but-2-enyl]cyclohexanamine
CID 107897735

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine (CID 102861077) is N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine is CN(C)CCN(CCBr)C1CCC1.
What is the InChIKey of N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine?
The InChIKey is AXOBKCHLRFBHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2/c1-12(2)8-9-13(7-6-11)10-4-3-5-10/h10H,3-9H2,1-2H3.
What are the key properties of N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine?
N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine has a molecular weight of 249.20 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 102861077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).