N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene

C22H31N — CID 70442596

IUPACN-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene
SMILESCNC.Cc1ccccc1C1(c2ccccc2C)CCCCC1
InChIInChI=1S/C20H24.C2H7N/c1-16-10-4-6-12-18(16)20(14-8-3-9-15-20)19-13-7-5-11-17(19)2;1-3-2/h4-7,10-13H,3,8-9,14-15H2,1-2H3;3H,1-2H3
InChIKeyLDWLOUXDZRNTMN-UHFFFAOYSA-N
MW309.50 g/mol
LogP5.39
Rot. Bonds2

About N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene

N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene (PubChem CID 70442596) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene.

Molecular Properties

Compound NameN-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene
PubChem CID70442596
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC NameN-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene
SMILESCNC.Cc1ccccc1C1(c2ccccc2C)CCCCC1
InChIInChI=1S/C20H24.C2H7N/c1-16-10-4-6-12-18(16)20(14-8-3-9-15-20)19-13-7-5-11-17(19)2;1-3-2/h4-7,10-13H,3,8-9,14-15H2,1-2H3;3H,1-2H3
InChIKeyLDWLOUXDZRNTMN-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene?
The IUPAC name of N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene (CID 70442596) is N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene.
What is the SMILES notation for N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene?
The canonical SMILES for N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene is CNC.Cc1ccccc1C1(c2ccccc2C)CCCCC1.
What is the InChIKey of N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene?
The InChIKey is LDWLOUXDZRNTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24.C2H7N/c1-16-10-4-6-12-18(16)20(14-8-3-9-15-20)19-13-7-5-11-17(19)2;1-3-2/h4-7,10-13H,3,8-9,14-15H2,1-2H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene?
N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene has a molecular weight of 309.50 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene is sourced from PubChem (CID 70442596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).