N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline

C18H30N2 — CID 63483418

IUPACN-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline
SMILESCCN(CC1CC(C)CCC1NC)c1ccccc1C
InChIInChI=1S/C18H30N2/c1-5-20(18-9-7-6-8-15(18)3)13-16-12-14(2)10-11-17(16)19-4/h6-9,14,16-17,19H,5,10-13H2,1-4H3
InChIKeyCPTBNSHXRZZKFQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds5

About N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline

N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline (PubChem CID 63483418) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline
PubChem CID63483418
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline
SMILESCCN(CC1CC(C)CCC1NC)c1ccccc1C
InChIInChI=1S/C18H30N2/c1-5-20(18-9-7-6-8-15(18)3)13-16-12-14(2)10-11-17(16)19-4/h6-9,14,16-17,19H,5,10-13H2,1-4H3
InChIKeyCPTBNSHXRZZKFQ-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Desipramine
CID 2995
Imipramine
CID 3696
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
Trimipramine
CID 5584
Imipramine Hydrochloride
CID 8228
Desipramine Hydrochloride
CID 65327
Bamipine
CID 72075
Dicarbine
CID 65684
2-Amino-5-(diethylamino)toluene
CID 67364
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
Depramine
CID 67534
N,N'-Di-o-tolylethylenediamine
CID 66759

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline?
The IUPAC name of N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline (CID 63483418) is N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline.
What is the SMILES notation for N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline?
The canonical SMILES for N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline is CCN(CC1CC(C)CCC1NC)c1ccccc1C.
What is the InChIKey of N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline?
The InChIKey is CPTBNSHXRZZKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-20(18-9-7-6-8-15(18)3)13-16-12-14(2)10-11-17(16)19-4/h6-9,14,16-17,19H,5,10-13H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline?
N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline is sourced from PubChem (CID 63483418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).