4-[3-methyl-1-(methylamino)butyl]aniline

C12H20N2 — CID 116951997

IUPAC4-[3-methyl-1-(methylamino)butyl]aniline
SMILESCNC(CC(C)C)c1ccc(N)cc1
InChIInChI=1S/C12H20N2/c1-9(2)8-12(14-3)10-4-6-11(13)7-5-10/h4-7,9,12,14H,8,13H2,1-3H3
InChIKeyYWGFIYSPSJUVNB-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.58
Rot. Bonds4

About 4-[3-methyl-1-(methylamino)butyl]aniline

4-[3-methyl-1-(methylamino)butyl]aniline (PubChem CID 116951997) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-[3-methyl-1-(methylamino)butyl]aniline.

Molecular Properties

Compound Name4-[3-methyl-1-(methylamino)butyl]aniline
PubChem CID116951997
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-[3-methyl-1-(methylamino)butyl]aniline
SMILESCNC(CC(C)C)c1ccc(N)cc1
InChIInChI=1S/C12H20N2/c1-9(2)8-12(14-3)10-4-6-11(13)7-5-10/h4-7,9,12,14H,8,13H2,1-3H3
InChIKeyYWGFIYSPSJUVNB-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 43486511
1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine
CID 43484998
1-(3-chloro-4-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 63094690
2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide
CID 119799878
4-amino-N-(3-methyl-1-phenylbutyl)benzamide
CID 43707132
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
CID 63020410
1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949684
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090
[1-(4-chlorophenyl)-3-methylbutyl]hydrazine
CID 105193198
6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43483374
4-[2-(methylamino)-1-phosphanylpropyl]aniline
CID 89327462
1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949687

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-1-(methylamino)butyl]aniline?
The IUPAC name of 4-[3-methyl-1-(methylamino)butyl]aniline (CID 116951997) is 4-[3-methyl-1-(methylamino)butyl]aniline.
What is the SMILES notation for 4-[3-methyl-1-(methylamino)butyl]aniline?
The canonical SMILES for 4-[3-methyl-1-(methylamino)butyl]aniline is CNC(CC(C)C)c1ccc(N)cc1.
What is the InChIKey of 4-[3-methyl-1-(methylamino)butyl]aniline?
The InChIKey is YWGFIYSPSJUVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)8-12(14-3)10-4-6-11(13)7-5-10/h4-7,9,12,14H,8,13H2,1-3H3.
What are the key properties of 4-[3-methyl-1-(methylamino)butyl]aniline?
4-[3-methyl-1-(methylamino)butyl]aniline has a molecular weight of 192.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-1-(methylamino)butyl]aniline is sourced from PubChem (CID 116951997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).