N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine

C11H20BrNO — CID 80670025

IUPACN-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine
SMILESBrCCN(CCC1CCCO1)C1CC1
InChIInChI=1S/C11H20BrNO/c12-6-8-13(10-3-4-10)7-5-11-2-1-9-14-11/h10-11H,1-9H2
InChIKeyFNEXZGMJXKUIEF-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.41
Rot. Bonds6

About N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine

N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine (PubChem CID 80670025) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine
PubChem CID80670025
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC NameN-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine
SMILESBrCCN(CCC1CCCO1)C1CC1
InChIInChI=1S/C11H20BrNO/c12-6-8-13(10-3-4-10)7-5-11-2-1-9-14-11/h10-11H,1-9H2
InChIKeyFNEXZGMJXKUIEF-UHFFFAOYSA-N
XLogP2.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.41
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'-cyclopentyl-N'-[2-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 65158903
N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine
CID 102860592
N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 80671629
N'-cyclohexyl-N'-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65158410
N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107488561
2-(3-bromopropyl)oxolane
CID 15783712
N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine
CID 102860767
N'-cyclohexyl-N'-[3-(oxolan-2-yl)propyl]ethane-1,2-diamine
CID 65165454
2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide
CID 65161112
N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine
CID 102860754
N-[3-(oxolan-2-yl)propyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631701
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 63388993

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine (CID 80670025) is N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine is BrCCN(CCC1CCCO1)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine?
The InChIKey is FNEXZGMJXKUIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c12-6-8-13(10-3-4-10)7-5-11-2-1-9-14-11/h10-11H,1-9H2.
What are the key properties of N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine?
N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine has a molecular weight of 262.19 g/mol, XLogP of 2.41, 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-[2-(oxolan-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 80670025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).