1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine

C12H24N2O — CID 102673386

IUPAC1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCOC1CC(NCC2(N(C)C)CCC2)C1
InChIInChI=1S/C12H24N2O/c1-14(2)12(5-4-6-12)9-13-10-7-11(8-10)15-3/h10-11,13H,4-9H2,1-3H3
InChIKeyISWAAXHTRPKCSB-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds5

About 1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 102673386) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID102673386
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCOC1CC(NCC2(N(C)C)CCC2)C1
InChIInChI=1S/C12H24N2O/c1-14(2)12(5-4-6-12)9-13-10-7-11(8-10)15-3/h10-11,13H,4-9H2,1-3H3
InChIKeyISWAAXHTRPKCSB-UHFFFAOYSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 102673386) is 1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine is COC1CC(NCC2(N(C)C)CCC2)C1.
What is the InChIKey of 1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is ISWAAXHTRPKCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-14(2)12(5-4-6-12)9-13-10-7-11(8-10)15-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methoxycyclobutyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 102673386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).