5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine

C19H36N2 — CID 79865810

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(CN2CCC3CCCCC3C2)CCC1(C)C
InChIInChI=1S/C19H36N2/c1-4-20-18-17(9-11-19(18,2)3)14-21-12-10-15-7-5-6-8-16(15)13-21/h15-18,20H,4-14H2,1-3H3
InChIKeyHJFIFQODAFUFJX-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.91
Rot. Bonds4

About 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine

5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 79865810) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
PubChem CID79865810
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(CN2CCC3CCCCC3C2)CCC1(C)C
InChIInChI=1S/C19H36N2/c1-4-20-18-17(9-11-19(18,2)3)14-21-12-10-15-7-5-6-8-16(15)13-21/h15-18,20H,4-14H2,1-3H3
InChIKeyHJFIFQODAFUFJX-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855421
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863853
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 63495679
N-ethyl-2,2-dimethyl-5-[(2-methylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 79865475
1-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-3-methylpiperidin-4-ol
CID 114681978
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 115561967
5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 107459384
1-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-4-methylpiperidin-4-ol
CID 81116006
5-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79859986
6-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79853171
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 113335655
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79835833

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine (CID 79865810) is 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine is CCNC1C(CN2CCC3CCCCC3C2)CCC1(C)C.
What is the InChIKey of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is HJFIFQODAFUFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-20-18-17(9-11-19(18,2)3)14-21-12-10-15-7-5-6-8-16(15)13-21/h15-18,20H,4-14H2,1-3H3.
What are the key properties of 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine?
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79865810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).