N-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline

C18H30N2 — CID 65241281

IUPACN-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline
SMILESCCN(CCC1(NC)CCCCC1)c1cccc(C)c1
InChIInChI=1S/C18H30N2/c1-4-20(17-10-8-9-16(2)15-17)14-13-18(19-3)11-6-5-7-12-18/h8-10,15,19H,4-7,11-14H2,1-3H3
InChIKeyZNEDMAICBJYAOX-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.13
Rot. Bonds6

About N-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline

N-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline (PubChem CID 65241281) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline
PubChem CID65241281
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline
SMILESCCN(CCC1(NC)CCCCC1)c1cccc(C)c1
InChIInChI=1S/C18H30N2/c1-4-20(17-10-8-9-16(2)15-17)14-13-18(19-3)11-6-5-7-12-18/h8-10,15,19H,4-7,11-14H2,1-3H3
InChIKeyZNEDMAICBJYAOX-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
N-methyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 82127246
1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde
CID 62276974
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
CID 138691667
CID 138691667
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618394
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077282
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133
N-tert-butyl-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 61077284

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline?
The IUPAC name of N-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline (CID 65241281) is N-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline.
What is the SMILES notation for N-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline?
The canonical SMILES for N-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline is CCN(CCC1(NC)CCCCC1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline?
The InChIKey is ZNEDMAICBJYAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-20(17-10-8-9-16(2)15-17)14-13-18(19-3)11-6-5-7-12-18/h8-10,15,19H,4-7,11-14H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline?
N-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline is sourced from PubChem (CID 65241281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).