N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline

C17H28N2 — CID 62122416

IUPACN,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline
SMILESCNCc1ccc(N(C)C2CCC(C)CC2)c(C)c1
InChIInChI=1S/C17H28N2/c1-13-5-8-16(9-6-13)19(4)17-10-7-15(12-18-3)11-14(17)2/h7,10-11,13,16,18H,5-6,8-9,12H2,1-4H3
InChIKeyFKGDDHRAPXUNFI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.73
Rot. Bonds4

About N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline

N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline (PubChem CID 62122416) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound NameN,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline
PubChem CID62122416
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline
SMILESCNCc1ccc(N(C)C2CCC(C)CC2)c(C)c1
InChIInChI=1S/C17H28N2/c1-13-5-8-16(9-6-13)19(4)17-10-7-15(12-18-3)11-14(17)2/h7,10-11,13,16,18H,5-6,8-9,12H2,1-4H3
InChIKeyFKGDDHRAPXUNFI-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline?
The IUPAC name of N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline (CID 62122416) is N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline is CNCc1ccc(N(C)C2CCC(C)CC2)c(C)c1.
What is the InChIKey of N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline?
The InChIKey is FKGDDHRAPXUNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-5-8-16(9-6-13)19(4)17-10-7-15(12-18-3)11-14(17)2/h7,10-11,13,16,18H,5-6,8-9,12H2,1-4H3.
What are the key properties of N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline?
N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline has a molecular weight of 260.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 62122416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).