2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine

C16H30N2 — CID 63912128

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(CN1CCCC2CCCCC21)C1CC1
InChIInChI=1S/C16H30N2/c1-2-17-15(13-9-10-13)12-18-11-5-7-14-6-3-4-8-16(14)18/h13-17H,2-12H2,1H3
InChIKeyNHUZDWSJTBPZJX-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds5

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine (PubChem CID 63912128) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine
PubChem CID63912128
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(CN1CCCC2CCCCC21)C1CC1
InChIInChI=1S/C16H30N2/c1-2-17-15(13-9-10-13)12-18-11-5-7-14-6-3-4-8-16(14)18/h13-17H,2-12H2,1H3
InChIKeyNHUZDWSJTBPZJX-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[1-cyclopentyl-2-(2-cyclopentylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 104745688
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine
CID 104746918
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-cyclopropylethanamine
CID 102725967
1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 176943757
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 102725921
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
CID 103934975
1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine
CID 114086713
1-cyclopentyl-2-(2-cyclopentylpyrrolidin-1-yl)ethanol
CID 104752736
1-(2-cyclopentylpyrrolidin-1-yl)pentan-2-ol
CID 62044329
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65320192
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)butan-1-amine
CID 65228222
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N,2-dimethylpropan-1-amine
CID 62432600

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine (CID 63912128) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine is CCNC(CN1CCCC2CCCCC21)C1CC1.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine?
The InChIKey is NHUZDWSJTBPZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-17-15(13-9-10-13)12-18-11-5-7-14-6-3-4-8-16(14)18/h13-17H,2-12H2,1H3.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 63912128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).