1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine

C16H25N — CID 116963591

IUPAC1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine
SMILESCCC(C)c1ccc(C2(CNC)CCC2)cc1
InChIInChI=1S/C16H25N/c1-4-13(2)14-6-8-15(9-7-14)16(12-17-3)10-5-11-16/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyGVVHSHQICSZEEQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.84
Rot. Bonds5

About 1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine

1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine (PubChem CID 116963591) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine
PubChem CID116963591
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine
SMILESCCC(C)c1ccc(C2(CNC)CCC2)cc1
InChIInChI=1S/C16H25N/c1-4-13(2)14-6-8-15(9-7-14)16(12-17-3)10-5-11-16/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyGVVHSHQICSZEEQ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
CID 62594810
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
1-[1-(4-butylphenyl)cyclopentyl]-N-methylmethanamine
CID 112518490
3-(4-butan-2-ylphenyl)-3-(2-chloroethyl)oxetane
CID 116871483
N-methyl-1-(1-naphthalen-2-ylcyclobutyl)methanamine
CID 116963684
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
CID 112507884
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine
CID 116963646
4-butan-2-yl-N-methylaniline
CID 22675641
1-[[(4-butan-2-ylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245245
N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 63512101

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine (CID 116963591) is 1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine is CCC(C)c1ccc(C2(CNC)CCC2)cc1.
What is the InChIKey of 1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is GVVHSHQICSZEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-13(2)14-6-8-15(9-7-14)16(12-17-3)10-5-11-16/h6-9,13,17H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine?
1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-butan-2-ylphenyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 116963591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).