3-(1-aminocyclobutyl)-N,N-dimethylaniline

C12H18N2 — CID 82603640

IUPAC3-(1-aminocyclobutyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2(N)CCC2)c1
InChIInChI=1S/C12H18N2/c1-14(2)11-6-3-5-10(9-11)12(13)7-4-8-12/h3,5-6,9H,4,7-8,13H2,1-2H3
InChIKeyLPWIIICITJMQHK-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.09
Rot. Bonds2

About 3-(1-aminocyclobutyl)-N,N-dimethylaniline

3-(1-aminocyclobutyl)-N,N-dimethylaniline (PubChem CID 82603640) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-(1-aminocyclobutyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(1-aminocyclobutyl)-N,N-dimethylaniline
PubChem CID82603640
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-(1-aminocyclobutyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2(N)CCC2)c1
InChIInChI=1S/C12H18N2/c1-14(2)11-6-3-5-10(9-11)12(13)7-4-8-12/h3,5-6,9H,4,7-8,13H2,1-2H3
InChIKeyLPWIIICITJMQHK-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7567
N-ethyl-3-methylaniline
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2-Amino-5-(diethylamino)toluene
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N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
N,N-dimethyl-m-toluidine
CID 8488
N,N-diethyl-m-toluidine
CID 66679
N,N,N',N'-Tetramethylbenzidine
CID 9702
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
4,4'-Methylenebis(N-methylaniline)
CID 15735
3-(Ethyl(3-methylphenyl)amino)propanenitrile
CID 67363
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclobutyl)-N,N-dimethylaniline?
The IUPAC name of 3-(1-aminocyclobutyl)-N,N-dimethylaniline (CID 82603640) is 3-(1-aminocyclobutyl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(1-aminocyclobutyl)-N,N-dimethylaniline?
The canonical SMILES for 3-(1-aminocyclobutyl)-N,N-dimethylaniline is CN(C)c1cccc(C2(N)CCC2)c1.
What is the InChIKey of 3-(1-aminocyclobutyl)-N,N-dimethylaniline?
The InChIKey is LPWIIICITJMQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-14(2)11-6-3-5-10(9-11)12(13)7-4-8-12/h3,5-6,9H,4,7-8,13H2,1-2H3.
What are the key properties of 3-(1-aminocyclobutyl)-N,N-dimethylaniline?
3-(1-aminocyclobutyl)-N,N-dimethylaniline has a molecular weight of 190.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclobutyl)-N,N-dimethylaniline is sourced from PubChem (CID 82603640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).