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

C16H26N2 — CID 115244718

IUPACN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNCC1(CNCc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C16H26N2/c1-12-7-13(2)15(14(3)8-12)9-18-11-16(5-6-16)10-17-4/h7-8,17-18H,5-6,9-11H2,1-4H3
InChIKeyCUKSUULTCWSVTJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.70
Rot. Bonds6

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

N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine (PubChem CID 115244718) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
PubChem CID115244718
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNCC1(CNCc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C16H26N2/c1-12-7-13(2)15(14(3)8-12)9-18-11-16(5-6-16)10-17-4/h7-8,17-18H,5-6,9-11H2,1-4H3
InChIKeyCUKSUULTCWSVTJ-UHFFFAOYSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 103802368
N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine
CID 55107129
N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]cyclohexyl]methanamine
CID 63507984
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
CID 115244764
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 115244136
1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246164
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242913
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245250
4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol
CID 78928966
2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244536
1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244695
[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243454

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine (CID 115244718) is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine is CNCC1(CNCc2c(C)cc(C)cc2C)CC1.
What is the InChIKey of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is CUKSUULTCWSVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-7-13(2)15(14(3)8-12)9-18-11-16(5-6-16)10-17-4/h7-8,17-18H,5-6,9-11H2,1-4H3.
What are the key properties of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine?
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 115244718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).