N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine

C17H28N2 — CID 116958870

IUPACN-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)C2(CNC)CCC2)cc1
InChIInChI=1S/C17H28N2/c1-4-6-14-7-9-15(10-8-14)16(19-3)17(13-18-2)11-5-12-17/h7-10,16,18-19H,4-6,11-13H2,1-3H3
InChIKeyXWIIOWNTKQSJBC-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.29
Rot. Bonds7

About N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine

N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine (PubChem CID 116958870) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine
PubChem CID116958870
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)C2(CNC)CCC2)cc1
InChIInChI=1S/C17H28N2/c1-4-6-14-7-9-15(10-8-14)16(19-3)17(13-18-2)11-5-12-17/h7-10,16,18-19H,4-6,11-13H2,1-3H3
InChIKeyXWIIOWNTKQSJBC-UHFFFAOYSA-N
XLogP3.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-phenylmethanamine
CID 116958853
N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine
CID 79069984
1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958521
1-[ethylamino-(4-propylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058158
[1-(aminomethyl)cyclobutyl]-(4-propylphenyl)methanamine
CID 116943807
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline
CID 115244481
1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol
CID 103452040
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958531
N-methyl-3-(4-propylphenyl)butan-2-amine
CID 66438296
N,N-dimethyl-1-[[1-(4-propylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 83108390
N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 116958371

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine?
The IUPAC name of N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine (CID 116958870) is N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine?
The canonical SMILES for N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine is CCCc1ccc(C(NC)C2(CNC)CCC2)cc1.
What is the InChIKey of N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine?
The InChIKey is XWIIOWNTKQSJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-6-14-7-9-15(10-8-14)16(19-3)17(13-18-2)11-5-12-17/h7-10,16,18-19H,4-6,11-13H2,1-3H3.
What are the key properties of N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine?
N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine is sourced from PubChem (CID 116958870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).