N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine

C10H20BrN — CID 102861028

IUPACN-(2-bromoethyl)-N-butan-2-ylcyclobutanamine
SMILESCCC(C)N(CCBr)C1CCC1
InChIInChI=1S/C10H20BrN/c1-3-9(2)12(8-7-11)10-5-4-6-10/h9-10H,3-8H2,1-2H3
InChIKeyFQNDBDHEZJQXKE-UHFFFAOYSA-N
MW234.18 g/mol
LogP3.03
Rot. Bonds5

About N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine

N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine (PubChem CID 102861028) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-butan-2-ylcyclobutanamine
PubChem CID102861028
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC NameN-(2-bromoethyl)-N-butan-2-ylcyclobutanamine
SMILESCCC(C)N(CCBr)C1CCC1
InChIInChI=1S/C10H20BrN/c1-3-9(2)12(8-7-11)10-5-4-6-10/h9-10H,3-8H2,1-2H3
InChIKeyFQNDBDHEZJQXKE-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine
CID 43137687
N-(3-bromopropyl)-N-(1-methoxypropan-2-yl)cyclobutanamine
CID 102860106
N-butan-2-yl-N-ethylcyclopropanamine
CID 123791449
N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine
CID 82936411
N-butan-2-yl-N-propylpiperidin-4-amine
CID 60806146
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
N-hexan-3-yl-N-propylcyclopentanamine
CID 130409572
N-butan-2-yl-N-butylazepan-3-amine
CID 62641187
N-(3-methylbutan-2-yl)-N-propylcyclobutanamine
CID 166157968
1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine
CID 79619259
2-[cyclohexyl(pentan-2-yl)amino]ethanol
CID 107886016
N-(2-bromoethyl)-N-pentylcyclobutanamine
CID 102860969

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine?
The IUPAC name of N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine (CID 102861028) is N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine?
The canonical SMILES for N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine is CCC(C)N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine?
The InChIKey is FQNDBDHEZJQXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN/c1-3-9(2)12(8-7-11)10-5-4-6-10/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine?
N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine has a molecular weight of 234.18 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-butan-2-ylcyclobutanamine is sourced from PubChem (CID 102861028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).