N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline

C19H30N2 — CID 66469810

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline
SMILESCCN(CC1CCC2CCCCC2N1)c1cccc(C)c1
InChIInChI=1S/C19H30N2/c1-3-21(18-9-6-7-15(2)13-18)14-17-12-11-16-8-4-5-10-19(16)20-17/h6-7,9,13,16-17,19-20H,3-5,8,10-12,14H2,1-2H3
InChIKeyCZSPPSHPGKEFMP-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.13
Rot. Bonds4

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline (PubChem CID 66469810) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline
PubChem CID66469810
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline
SMILESCCN(CC1CCC2CCCCC2N1)c1cccc(C)c1
InChIInChI=1S/C19H30N2/c1-3-21(18-9-6-7-15(2)13-18)14-17-12-11-16-8-4-5-10-19(16)20-17/h6-7,9,13,16-17,19-20H,3-5,8,10-12,14H2,1-2H3
InChIKeyCZSPPSHPGKEFMP-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline with MolForge

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Related Compounds

2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one
CID 62614567
N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline
CID 82915842
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine
CID 66469407
1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
CID 104750103
N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline
CID 55076467
N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline
CID 63495505
N-cyclohexyl-N-ethyl-3-methylaniline
CID 21396772
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280852
N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 55073617
N-cycloheptyl-2-(N-ethyl-3-methylanilino)acetamide
CID 109005664
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-3-methylaniline
CID 80567320

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline (CID 66469810) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline is CCN(CC1CCC2CCCCC2N1)c1cccc(C)c1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline?
The InChIKey is CZSPPSHPGKEFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-21(18-9-6-7-15(2)13-18)14-17-12-11-16-8-4-5-10-19(16)20-17/h6-7,9,13,16-17,19-20H,3-5,8,10-12,14H2,1-2H3.
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline has a molecular weight of 286.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline is sourced from PubChem (CID 66469810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).