N-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine

C11H20BrNO — CID 115749711

IUPACN-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine
SMILESC=C(Br)CNC1CC(C)(OC)C1(C)C
InChIInChI=1S/C11H20BrNO/c1-8(12)7-13-9-6-11(4,14-5)10(9,2)3/h9,13H,1,6-7H2,2-5H3
InChIKeyLGEPWEJUSSKJHO-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.69
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine

N-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine (PubChem CID 115749711) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine
PubChem CID115749711
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC NameN-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine
SMILESC=C(Br)CNC1CC(C)(OC)C1(C)C
InChIInChI=1S/C11H20BrNO/c1-8(12)7-13-9-6-11(4,14-5)10(9,2)3/h9,13H,1,6-7H2,2-5H3
InChIKeyLGEPWEJUSSKJHO-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine (CID 115749711) is N-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine is C=C(Br)CNC1CC(C)(OC)C1(C)C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine?
The InChIKey is LGEPWEJUSSKJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-8(12)7-13-9-6-11(4,14-5)10(9,2)3/h9,13H,1,6-7H2,2-5H3.
What are the key properties of N-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine?
N-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine has a molecular weight of 262.19 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-3-methoxy-2,2,3-trimethylcyclobutan-1-amine is sourced from PubChem (CID 115749711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).