4-[cyclobutyl(methylamino)methyl]-N-methylaniline

C13H20N2 — CID 116952141

IUPAC4-[cyclobutyl(methylamino)methyl]-N-methylaniline
SMILESCNc1ccc(C(NC)C2CCC2)cc1
InChIInChI=1S/C13H20N2/c1-14-12-8-6-11(7-9-12)13(15-2)10-4-3-5-10/h6-10,13-15H,3-5H2,1-2H3
InChIKeyHBBLNYQNTFOLRC-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.79
Rot. Bonds4

About 4-[cyclobutyl(methylamino)methyl]-N-methylaniline

4-[cyclobutyl(methylamino)methyl]-N-methylaniline (PubChem CID 116952141) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-[cyclobutyl(methylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[cyclobutyl(methylamino)methyl]-N-methylaniline
PubChem CID116952141
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-[cyclobutyl(methylamino)methyl]-N-methylaniline
SMILESCNc1ccc(C(NC)C2CCC2)cc1
InChIInChI=1S/C13H20N2/c1-14-12-8-6-11(7-9-12)13(15-2)10-4-3-5-10/h6-10,13-15H,3-5H2,1-2H3
InChIKeyHBBLNYQNTFOLRC-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-1-(4-iodophenyl)-N-methylmethanamine
CID 105049443
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-(4-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 116505983
1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724
1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 43484996
1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018209
1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 105027698
1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 64986686
1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018164

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(methylamino)methyl]-N-methylaniline?
The IUPAC name of 4-[cyclobutyl(methylamino)methyl]-N-methylaniline (CID 116952141) is 4-[cyclobutyl(methylamino)methyl]-N-methylaniline.
What is the SMILES notation for 4-[cyclobutyl(methylamino)methyl]-N-methylaniline?
The canonical SMILES for 4-[cyclobutyl(methylamino)methyl]-N-methylaniline is CNc1ccc(C(NC)C2CCC2)cc1.
What is the InChIKey of 4-[cyclobutyl(methylamino)methyl]-N-methylaniline?
The InChIKey is HBBLNYQNTFOLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-12-8-6-11(7-9-12)13(15-2)10-4-3-5-10/h6-10,13-15H,3-5H2,1-2H3.
What are the key properties of 4-[cyclobutyl(methylamino)methyl]-N-methylaniline?
4-[cyclobutyl(methylamino)methyl]-N-methylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(methylamino)methyl]-N-methylaniline is sourced from PubChem (CID 116952141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).