3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline

C15H25N3 — CID 105413427

IUPAC3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
SMILESCN(Cc1cccc(N)c1)CC1(N(C)C)CCC1
InChIInChI=1S/C15H25N3/c1-17(2)15(8-5-9-15)12-18(3)11-13-6-4-7-14(16)10-13/h4,6-7,10H,5,8-9,11-12,16H2,1-3H3
InChIKeyCEOOVWDNBDNRPM-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.18
Rot. Bonds5

About 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline

3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline (PubChem CID 105413427) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
PubChem CID105413427
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
SMILESCN(Cc1cccc(N)c1)CC1(N(C)C)CCC1
InChIInChI=1S/C15H25N3/c1-17(2)15(8-5-9-15)12-18(3)11-13-6-4-7-14(16)10-13/h4,6-7,10H,5,8-9,11-12,16H2,1-3H3
InChIKeyCEOOVWDNBDNRPM-UHFFFAOYSA-N
XLogP2.18
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
CID 105421343
2-chloro-4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105421348
3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline
CID 115212038
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridin-3-amine
CID 105421264
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
CID 105413529
1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 107113662
1-[[2,3-dihydro-1H-indol-6-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421360
3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline
CID 60923207
1-[[(3-bromo-5-fluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416319
1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 61411916
2-[(3-aminophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 43383734

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline?
The IUPAC name of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline (CID 105413427) is 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline.
What is the SMILES notation for 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline?
The canonical SMILES for 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline is CN(Cc1cccc(N)c1)CC1(N(C)C)CCC1.
What is the InChIKey of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline?
The InChIKey is CEOOVWDNBDNRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17(2)15(8-5-9-15)12-18(3)11-13-6-4-7-14(16)10-13/h4,6-7,10H,5,8-9,11-12,16H2,1-3H3.
What are the key properties of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline?
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline has a molecular weight of 247.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline is sourced from PubChem (CID 105413427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).