2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine

C18H29N — CID 79861658

IUPAC2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cc(C)c(CNC2CCCCC2(C)C)c(C)c1
InChIInChI=1S/C18H29N/c1-13-10-14(2)16(15(3)11-13)12-19-17-8-6-7-9-18(17,4)5/h10-11,17,19H,6-9,12H2,1-5H3
InChIKeyKXDRURRCXGFEDI-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.67
Rot. Bonds3

About 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine

2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine (PubChem CID 79861658) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
PubChem CID79861658
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cc(C)c(CNC2CCCCC2(C)C)c(C)c1
InChIInChI=1S/C18H29N/c1-13-10-14(2)16(15(3)11-13)12-19-17-8-6-7-9-18(17,4)5/h10-11,17,19H,6-9,12H2,1-5H3
InChIKeyKXDRURRCXGFEDI-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 79861537
N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861534
N-[(2,6-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861181
N-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 106862872
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188
2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 115693333
3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 114544213
2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]cyclohexan-1-amine
CID 79861830
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 79836256
N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline
CID 79829148
2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol
CID 107740899
N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79984326

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine (CID 79861658) is 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine is Cc1cc(C)c(CNC2CCCCC2(C)C)c(C)c1.
What is the InChIKey of 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is KXDRURRCXGFEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13-10-14(2)16(15(3)11-13)12-19-17-8-6-7-9-18(17,4)5/h10-11,17,19H,6-9,12H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine?
2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79861658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).