1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine

C15H22N2O2 — CID 105415496

IUPAC1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(CNCc2cccc3c2OCO3)CCC1
InChIInChI=1S/C15H22N2O2/c1-17(2)15(7-4-8-15)10-16-9-12-5-3-6-13-14(12)19-11-18-13/h3,5-6,16H,4,7-11H2,1-2H3
InChIKeyDMTQFZLZVPWOJI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.99
Rot. Bonds5

About 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine

1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105415496) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105415496
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(CNCc2cccc3c2OCO3)CCC1
InChIInChI=1S/C15H22N2O2/c1-17(2)15(7-4-8-15)10-16-9-12-5-3-6-13-14(12)19-11-18-13/h3,5-6,16H,4,7-11H2,1-2H3
InChIKeyDMTQFZLZVPWOJI-UHFFFAOYSA-N
XLogP1.99
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 115281056
1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802463
3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol
CID 105415267
1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 31559165
N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine
CID 60888930
N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912363
2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline
CID 83117063
N-(1,3-benzodioxol-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 54957908
1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine
CID 82710463
1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine
CID 43583250
N-(1,3-benzodioxol-4-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451647
N,N-dimethyl-1-[(quinolin-8-ylmethylamino)methyl]cyclobutan-1-amine
CID 105415743

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine (CID 105415496) is 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine is CN(C)C1(CNCc2cccc3c2OCO3)CCC1.
What is the InChIKey of 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is DMTQFZLZVPWOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(2)15(7-4-8-15)10-16-9-12-5-3-6-13-14(12)19-11-18-13/h3,5-6,16H,4,7-11H2,1-2H3.
What are the key properties of 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine?
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105415496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).