N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine

C18H29N — CID 66478016

IUPACN-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1c(C)cc(C)cc1C)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H29N/c1-11-9-12(2)14(13(3)10-11)15(19-8)16-17(4,5)18(16,6)7/h9-10,15-16,19H,1-8H3
InChIKeyXCZKQGLAUXEOCG-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.55
Rot. Bonds3

About N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine

N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine (PubChem CID 66478016) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine
PubChem CID66478016
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1c(C)cc(C)cc1C)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H29N/c1-11-9-12(2)14(13(3)10-11)15(19-8)16-17(4,5)18(16,6)7/h9-10,15-16,19H,1-8H3
InChIKeyXCZKQGLAUXEOCG-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,2,3,3-tetramethylcyclopropyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 66475920
N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 104990570
1-(2,5-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66477637
1-cyclobutyl-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484275
1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 81473394
4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
CID 116957010
N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16770838
1-(2,3-dimethylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 115850452
N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 114825011
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476681
1-(1,1-dioxothian-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 104518499
1-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106680447

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine (CID 66478016) is N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine is CNC(c1c(C)cc(C)cc1C)C1C(C)(C)C1(C)C.
What is the InChIKey of N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is XCZKQGLAUXEOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-11-9-12(2)14(13(3)10-11)15(19-8)16-17(4,5)18(16,6)7/h9-10,15-16,19H,1-8H3.
What are the key properties of N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine?
N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 259.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 66478016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).