N-(2-bromoethyl)-N-pentylcyclobutanamine

C11H22BrN — CID 102860969

IUPACN-(2-bromoethyl)-N-pentylcyclobutanamine
SMILESCCCCCN(CCBr)C1CCC1
InChIInChI=1S/C11H22BrN/c1-2-3-4-9-13(10-8-12)11-6-5-7-11/h11H,2-10H2,1H3
InChIKeyDSVOVLLLUKMHGJ-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.43
Rot. Bonds7

About N-(2-bromoethyl)-N-pentylcyclobutanamine

N-(2-bromoethyl)-N-pentylcyclobutanamine (PubChem CID 102860969) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-pentylcyclobutanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-pentylcyclobutanamine
PubChem CID102860969
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC NameN-(2-bromoethyl)-N-pentylcyclobutanamine
SMILESCCCCCN(CCBr)C1CCC1
InChIInChI=1S/C11H22BrN/c1-2-3-4-9-13(10-8-12)11-6-5-7-11/h11H,2-10H2,1H3
InChIKeyDSVOVLLLUKMHGJ-UHFFFAOYSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.43
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'}

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Related Compounds

N-(2-bromoethyl)-N-dodecylcyclobutanamine
CID 102860890
N-(3-bromopropyl)-N-heptylcyclobutanamine
CID 102860068
N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
CID 102860799
N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine
CID 114526677
N-(2-chloroethyl)-N-pentylcyclopropanamine
CID 63388032
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
N'-cyclopentyl-N'-hexylpropane-1,3-diamine
CID 43137589
N'-cyclopentyl-N'-nonylpropane-1,3-diamine
CID 43319594
N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine
CID 106731454
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
N'-cyclohexyl-N'-heptylpropane-1,3-diamine
CID 43137640
N-butyl-N-propylcyclohexanamine
CID 15751893

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-pentylcyclobutanamine?
The IUPAC name of N-(2-bromoethyl)-N-pentylcyclobutanamine (CID 102860969) is N-(2-bromoethyl)-N-pentylcyclobutanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-pentylcyclobutanamine?
The canonical SMILES for N-(2-bromoethyl)-N-pentylcyclobutanamine is CCCCCN(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-pentylcyclobutanamine?
The InChIKey is DSVOVLLLUKMHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c1-2-3-4-9-13(10-8-12)11-6-5-7-11/h11H,2-10H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-pentylcyclobutanamine?
N-(2-bromoethyl)-N-pentylcyclobutanamine has a molecular weight of 248.21 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-pentylcyclobutanamine is sourced from PubChem (CID 102860969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).