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

C16H25N — CID 81017073

IUPACN-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine
SMILESCNCC1CCC1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H25N/c1-11-7-12(2)16(13(3)8-11)9-14-5-6-15(14)10-17-4/h7-8,14-15,17H,5-6,9-10H2,1-4H3
InChIKeyRBTNMSMSIIDIJB-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.40
Rot. Bonds4

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

N-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine (PubChem CID 81017073) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine
PubChem CID81017073
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine
SMILESCNCC1CCC1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H25N/c1-11-7-12(2)16(13(3)8-11)9-14-5-6-15(14)10-17-4/h7-8,14-15,17H,5-6,9-10H2,1-4H3
InChIKeyRBTNMSMSIIDIJB-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 81017122
N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027836
4-ethyl-N-methyl-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 63403275
N-ethyl-2-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 55085442
1-[2-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033230
1-[2-[(2,6-difluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 114935178
1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016958
1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81017170
N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine
CID 81017373
1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016867
N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine
CID 55107129
1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81025893

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine (CID 81017073) is N-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine is CNCC1CCC1Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine?
The InChIKey is RBTNMSMSIIDIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11-7-12(2)16(13(3)8-11)9-14-5-6-15(14)10-17-4/h7-8,14-15,17H,5-6,9-10H2,1-4H3.
What are the key properties of N-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine?
N-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine has a molecular weight of 231.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81017073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).