N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine

C15H26N2 — CID 55074982

IUPACN,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine
SMILESCCC(C)CN(C)Cc1cccc(CNC)c1
InChIInChI=1S/C15H26N2/c1-5-13(2)11-17(4)12-15-8-6-7-14(9-15)10-16-3/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyWZAXVFQYFMAHIH-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.88
Rot. Bonds7

About N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine

N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine (PubChem CID 55074982) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine
PubChem CID55074982
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine
SMILESCCC(C)CN(C)Cc1cccc(CNC)c1
InChIInChI=1S/C15H26N2/c1-5-13(2)11-17(4)12-15-8-6-7-14(9-15)10-16-3/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyWZAXVFQYFMAHIH-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 55136782
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine
CID 112665980
N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine
CID 66349587
N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 62411635
N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine
CID 62470146
(2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide
CID 95145860
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 62417355
N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 55136198
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119862556
N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline
CID 62182211
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107454209

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine (CID 55074982) is N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine is CCC(C)CN(C)Cc1cccc(CNC)c1.
What is the InChIKey of N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine?
The InChIKey is WZAXVFQYFMAHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-13(2)11-17(4)12-15-8-6-7-14(9-15)10-16-3/h6-9,13,16H,5,10-12H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine?
N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 55074982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).