N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine

C16H25N — CID 43082188

IUPACN-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
SMILESCc1cc(C)c(CNC2CCCCC2)c(C)c1
InChIInChI=1S/C16H25N/c1-12-9-13(2)16(14(3)10-12)11-17-15-7-5-4-6-8-15/h9-10,15,17H,4-8,11H2,1-3H3
InChIKeyXPXZXZMCWIHITD-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.03
Rot. Bonds3

About N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine

N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine (PubChem CID 43082188) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
PubChem CID43082188
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
SMILESCc1cc(C)c(CNC2CCCCC2)c(C)c1
InChIInChI=1S/C16H25N/c1-12-9-13(2)16(14(3)10-12)11-17-15-7-5-4-6-8-15/h9-10,15,17H,4-8,11H2,1-3H3
InChIKeyXPXZXZMCWIHITD-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 63453897
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
1,1-dioxo-N-[(2,4,6-trimethylphenyl)methyl]thian-4-amine
CID 43614931
N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 60683536
N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine
CID 98017013
3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 114544213
4-[(cyclohexylamino)methyl]-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrole-3-carboxylic acid
CID 20891710
1-(2,2,2-trifluoroethyl)-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 119107086
2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 79861658
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754
N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine
CID 79803205
N-[2-(2,3,5-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517014

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine (CID 43082188) is N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine is Cc1cc(C)c(CNC2CCCCC2)c(C)c1.
What is the InChIKey of N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine?
The InChIKey is XPXZXZMCWIHITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-9-13(2)16(14(3)10-12)11-17-15-7-5-4-6-8-15/h9-10,15,17H,4-8,11H2,1-3H3.
What are the key properties of N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine?
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine has a molecular weight of 231.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 43082188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).