3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline

C13H20N2 — CID 82609365

IUPAC3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2(CN)CCC2)c1
InChIInChI=1S/C13H20N2/c1-15(2)12-6-3-5-11(9-12)13(10-14)7-4-8-13/h3,5-6,9H,4,7-8,10,14H2,1-2H3
InChIKeyYRGNSFCQJXGGCG-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.13
Rot. Bonds3

About 3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline

3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline (PubChem CID 82609365) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
PubChem CID82609365
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2(CN)CCC2)c1
InChIInChI=1S/C13H20N2/c1-15(2)12-6-3-5-11(9-12)13(10-14)7-4-8-13/h3,5-6,9H,4,7-8,10,14H2,1-2H3
InChIKeyYRGNSFCQJXGGCG-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-1-methylurea
CID 117408462
3-(1-aminocyclobutyl)-N,N-dimethylaniline
CID 82603640
1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
CID 117113123
4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline
CID 117318635
4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline
CID 117455123
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
CID 117301607
[1-(3-cyclobutylphenyl)cyclobutyl]methanamine
CID 117307162
[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine
CID 117113249
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
[1-[3-(oxetan-3-yl)phenyl]cyclobutyl]methanamine
CID 117309887
[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline?
The IUPAC name of 3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline (CID 82609365) is 3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline is CN(C)c1cccc(C2(CN)CCC2)c1.
What is the InChIKey of 3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline?
The InChIKey is YRGNSFCQJXGGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-15(2)12-6-3-5-11(9-12)13(10-14)7-4-8-13/h3,5-6,9H,4,7-8,10,14H2,1-2H3.
What are the key properties of 3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline?
3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline is sourced from PubChem (CID 82609365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).