1-butyl-4-methylbenzene;N-methylmethanamine

C13H23N — CID 143818952

IUPAC1-butyl-4-methylbenzene;N-methylmethanamine
SMILESCCCCc1ccc(C)cc1.CNC
InChIInChI=1S/C11H16.C2H7N/c1-3-4-5-11-8-6-10(2)7-9-11;1-3-2/h6-9H,3-5H2,1-2H3;3H,1-2H3
InChIKeyXQJAXKUEHJDGDB-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.17
Rot. Bonds3

About 1-butyl-4-methylbenzene;N-methylmethanamine

1-butyl-4-methylbenzene;N-methylmethanamine (PubChem CID 143818952) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-butyl-4-methylbenzene;N-methylmethanamine.

Molecular Properties

Compound Name1-butyl-4-methylbenzene;N-methylmethanamine
PubChem CID143818952
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-butyl-4-methylbenzene;N-methylmethanamine
SMILESCCCCc1ccc(C)cc1.CNC
InChIInChI=1S/C11H16.C2H7N/c1-3-4-5-11-8-6-10(2)7-9-11;1-3-2/h6-9H,3-5H2,1-2H3;3H,1-2H3
InChIKeyXQJAXKUEHJDGDB-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-butyl-4-methylbenzene;N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-4-methylbenzene;trifluoroalumane
CID 175081213
1-methyl-4-octylbenzene
CID 11052746
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
CID 159106327
1-butyl-4-methylbenzene;formic acid
CID 177221373
5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene
CID 123525703
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylbenzene;N-methylmethanamine?
The IUPAC name of 1-butyl-4-methylbenzene;N-methylmethanamine (CID 143818952) is 1-butyl-4-methylbenzene;N-methylmethanamine.
What is the SMILES notation for 1-butyl-4-methylbenzene;N-methylmethanamine?
The canonical SMILES for 1-butyl-4-methylbenzene;N-methylmethanamine is CCCCc1ccc(C)cc1.CNC.
What is the InChIKey of 1-butyl-4-methylbenzene;N-methylmethanamine?
The InChIKey is XQJAXKUEHJDGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C2H7N/c1-3-4-5-11-8-6-10(2)7-9-11;1-3-2/h6-9H,3-5H2,1-2H3;3H,1-2H3.
What are the key properties of 1-butyl-4-methylbenzene;N-methylmethanamine?
1-butyl-4-methylbenzene;N-methylmethanamine has a molecular weight of 193.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylbenzene;N-methylmethanamine is sourced from PubChem (CID 143818952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).