N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine

C8H14BrNO — CID 104871443

IUPACN-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine
SMILESC=C(Br)CNC1CC(OC)C1
InChIInChI=1S/C8H14BrNO/c1-6(9)5-10-7-3-8(4-7)11-2/h7-8,10H,1,3-5H2,2H3
InChIKeyASLYWAFOIUIXKG-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.66
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine

N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine (PubChem CID 104871443) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine
PubChem CID104871443
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC NameN-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine
SMILESC=C(Br)CNC1CC(OC)C1
InChIInChI=1S/C8H14BrNO/c1-6(9)5-10-7-3-8(4-7)11-2/h7-8,10H,1,3-5H2,2H3
InChIKeyASLYWAFOIUIXKG-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methoxycyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 104872016
5-[(3-methoxycyclobutyl)amino]pentan-1-ol
CID 107316808
N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074784
2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide
CID 114119327
N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine
CID 106438266
N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine
CID 81345297
1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol
CID 104871868
N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine
CID 104870848
N-hexyl-3-methoxycyclobutan-1-amine
CID 104870767
1-[(3-methoxycyclobutyl)amino]pentan-3-ol
CID 104871930
N-[(2,2-dimethylcyclopropyl)methyl]-3-methoxycyclobutan-1-amine
CID 104871472
N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine
CID 104871436

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine (CID 104871443) is N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine is C=C(Br)CNC1CC(OC)C1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine?
The InChIKey is ASLYWAFOIUIXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c1-6(9)5-10-7-3-8(4-7)11-2/h7-8,10H,1,3-5H2,2H3.
What are the key properties of N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine?
N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine has a molecular weight of 220.11 g/mol, XLogP of 1.66, 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-methoxycyclobutan-1-amine is sourced from PubChem (CID 104871443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).