N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine

C16H32N2O — CID 82950918

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(CC1CCC2CCCCC2N1)C(C)C
InChIInChI=1S/C16H32N2O/c1-13(2)18(10-11-19-3)12-15-9-8-14-6-4-5-7-16(14)17-15/h13-17H,4-12H2,1-3H3
InChIKeyKHJWKIBULBSWIV-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds6

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine (PubChem CID 82950918) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
PubChem CID82950918
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(CC1CCC2CCCCC2N1)C(C)C
InChIInChI=1S/C16H32N2O/c1-13(2)18(10-11-19-3)12-15-9-8-14-6-4-5-7-16(14)17-15/h13-17H,4-12H2,1-3H3
InChIKeyKHJWKIBULBSWIV-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine with MolForge

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Related Compounds

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103339279
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine
CID 114396569
N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 82949166
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylmethanamine
CID 66469009
N-(2-methoxyethyl)-N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 82949267
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine
CID 66471620
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine
CID 79470156
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclohexyl-N-methylmethanamine
CID 66470216
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]pyrrolidin-3-ol
CID 82952206
2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778439
N-(2-methoxyethyl)-N-(morpholin-3-ylmethyl)propan-2-amine
CID 82951204

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine (CID 82950918) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine is COCCN(CC1CCC2CCCCC2N1)C(C)C.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is KHJWKIBULBSWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)18(10-11-19-3)12-15-9-8-14-6-4-5-7-16(14)17-15/h13-17H,4-12H2,1-3H3.
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 268.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 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-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 82950918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).