4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline

C19H32N2 — CID 43079092

IUPAC4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CNC2CCCC(C)C2C)cc1
InChIInChI=1S/C19H32N2/c1-5-21(6-2)18-12-10-17(11-13-18)14-20-19-9-7-8-15(3)16(19)4/h10-13,15-16,19-20H,5-9,14H2,1-4H3
InChIKeyJFQOYEQKMBZUHU-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.45
Rot. Bonds6

About 4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline

4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline (PubChem CID 43079092) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline
PubChem CID43079092
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CNC2CCCC(C)C2C)cc1
InChIInChI=1S/C19H32N2/c1-5-21(6-2)18-12-10-17(11-13-18)14-20-19-9-7-8-15(3)16(19)4/h10-13,15-16,19-20H,5-9,14H2,1-4H3
InChIKeyJFQOYEQKMBZUHU-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline
CID 64921729
(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 11920641
3-[4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N-methylanilino]propanenitrile
CID 78804123
N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine
CID 4719916
N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907324
4-[[(2,3-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 43179140
N-[(3,4-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43081867
(1S,2R,3R)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 11882183
2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine
CID 103864488
N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 60788665
N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline
CID 107399942

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline?
The IUPAC name of 4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline (CID 43079092) is 4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline is CCN(CC)c1ccc(CNC2CCCC(C)C2C)cc1.
What is the InChIKey of 4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline?
The InChIKey is JFQOYEQKMBZUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-21(6-2)18-12-10-17(11-13-18)14-20-19-9-7-8-15(3)16(19)4/h10-13,15-16,19-20H,5-9,14H2,1-4H3.
What are the key properties of 4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline?
4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline has a molecular weight of 288.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline is sourced from PubChem (CID 43079092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).