N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine

C12H24BrNO — CID 102860799

IUPACN-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
SMILESCCCCOCCN(CCBr)C1CCC1
InChIInChI=1S/C12H24BrNO/c1-2-3-10-15-11-9-14(8-7-13)12-5-4-6-12/h12H,2-11H2,1H3
InChIKeyNLYSZZUIGGOUAB-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.05
Rot. Bonds9

About N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine

N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine (PubChem CID 102860799) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
PubChem CID102860799
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC NameN-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
SMILESCCCCOCCN(CCBr)C1CCC1
InChIInChI=1S/C12H24BrNO/c1-2-3-10-15-11-9-14(8-7-13)12-5-4-6-12/h12H,2-11H2,1H3
InChIKeyNLYSZZUIGGOUAB-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-pentylcyclobutanamine
CID 102860969
N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine
CID 63386914
N-(2-bromoethyl)-N-dodecylcyclobutanamine
CID 102860890
N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine
CID 104567265
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 104567115
N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104567253
N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine
CID 103413097
N-(3-bromopropyl)-N-heptylcyclobutanamine
CID 102860068
N-(3-chloropropyl)-N-(2-propoxyethyl)cyclobutanamine
CID 106457906
4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112173
N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine
CID 170541781
N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine
CID 106731454

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine?
The IUPAC name of N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine (CID 102860799) is N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine is CCCCOCCN(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine?
The InChIKey is NLYSZZUIGGOUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-2-3-10-15-11-9-14(8-7-13)12-5-4-6-12/h12H,2-11H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine?
N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine has a molecular weight of 278.23 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine is sourced from PubChem (CID 102860799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).