[1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine

C17H28N2 — CID 116943982

IUPAC[1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine
SMILESCNCC1(C(N)c2cc(C(C)C)ccc2C)CCC1
InChIInChI=1S/C17H28N2/c1-12(2)14-7-6-13(3)15(10-14)16(18)17(11-19-4)8-5-9-17/h6-7,10,12,16,19H,5,8-9,11,18H2,1-4H3
InChIKeyIAJJWPCLKRPTIS-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds5

About [1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine

[1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine (PubChem CID 116943982) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is [1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name[1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine
PubChem CID116943982
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name[1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine
SMILESCNCC1(C(N)c2cc(C(C)C)ccc2C)CCC1
InChIInChI=1S/C17H28N2/c1-12(2)14-7-6-13(3)15(10-14)16(18)17(11-19-4)8-5-9-17/h6-7,10,12,16,19H,5,8-9,11,18H2,1-4H3
InChIKeyIAJJWPCLKRPTIS-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine
CID 116943957
1,3-benzodioxol-5-yl-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943952
(4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943979
(4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943497
[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
CID 116943976
[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol
CID 116944173
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 116855714
(5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943544
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 82491046
(2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943597
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635

Frequently Asked Questions

What is the IUPAC name of [1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine?
The IUPAC name of [1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine (CID 116943982) is [1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine.
What is the SMILES notation for [1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine?
The canonical SMILES for [1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine is CNCC1(C(N)c2cc(C(C)C)ccc2C)CCC1.
What is the InChIKey of [1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine?
The InChIKey is IAJJWPCLKRPTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)14-7-6-13(3)15(10-14)16(18)17(11-19-4)8-5-9-17/h6-7,10,12,16,19H,5,8-9,11,18H2,1-4H3.
What are the key properties of [1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine?
[1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 116943982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).