[1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine

C16H26N2 — CID 116943957

IUPAC[1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine
SMILESCNCC1(C(N)c2c(C)cc(C)cc2C)CCC1
InChIInChI=1S/C16H26N2/c1-11-8-12(2)14(13(3)9-11)15(17)16(10-18-4)6-5-7-16/h8-9,15,18H,5-7,10,17H2,1-4H3
InChIKeyJXPDJTVHFGBRMV-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.00
Rot. Bonds4

About [1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine

[1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine (PubChem CID 116943957) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name[1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine
PubChem CID116943957
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine
SMILESCNCC1(C(N)c2c(C)cc(C)cc2C)CCC1
InChIInChI=1S/C16H26N2/c1-11-8-12(2)14(13(3)9-11)15(17)16(10-18-4)6-5-7-16/h8-9,15,18H,5-7,10,17H2,1-4H3
InChIKeyJXPDJTVHFGBRMV-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine
CID 116943982
(1-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanamine
CID 82282690
(2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943971
[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
CID 116943976
(4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943979
1,3-benzodioxol-5-yl-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943952
[1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine
CID 116943405
(4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943497
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820
N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine
CID 55107129
(5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943544
[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959056

Frequently Asked Questions

What is the IUPAC name of [1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of [1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine (CID 116943957) is [1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for [1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for [1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine is CNCC1(C(N)c2c(C)cc(C)cc2C)CCC1.
What is the InChIKey of [1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is JXPDJTVHFGBRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-8-12(2)14(13(3)9-11)15(17)16(10-18-4)6-5-7-16/h8-9,15,18H,5-7,10,17H2,1-4H3.
What are the key properties of [1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine?
[1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 116943957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).