N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline

C14H22N2 — CID 115885128

IUPACN-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline
SMILESCc1ccc(CN(C)C)cc1NC1CCC1
InChIInChI=1S/C14H22N2/c1-11-7-8-12(10-16(2)3)9-14(11)15-13-5-4-6-13/h7-9,13,15H,4-6,10H2,1-3H3
InChIKeyMMTNEYSFNGARSB-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.02
Rot. Bonds4

About N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline

N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline (PubChem CID 115885128) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline
PubChem CID115885128
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline
SMILESCc1ccc(CN(C)C)cc1NC1CCC1
InChIInChI=1S/C14H22N2/c1-11-7-8-12(10-16(2)3)9-14(11)15-13-5-4-6-13/h7-9,13,15H,4-6,10H2,1-3H3
InChIKeyMMTNEYSFNGARSB-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline?
The IUPAC name of N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline (CID 115885128) is N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline.
What is the SMILES notation for N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline?
The canonical SMILES for N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline is Cc1ccc(CN(C)C)cc1NC1CCC1.
What is the InChIKey of N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline?
The InChIKey is MMTNEYSFNGARSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-7-8-12(10-16(2)3)9-14(11)15-13-5-4-6-13/h7-9,13,15H,4-6,10H2,1-3H3.
What are the key properties of N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline?
N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline has a molecular weight of 218.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[(dimethylamino)methyl]-2-methylaniline is sourced from PubChem (CID 115885128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).