N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine

C17H30N2S — CID 79866036

IUPACN-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(CN(CC)Cc2cccs2)CCC1(C)C
InChIInChI=1S/C17H30N2S/c1-5-18-16-14(9-10-17(16,3)4)12-19(6-2)13-15-8-7-11-20-15/h7-8,11,14,16,18H,5-6,9-10,12-13H2,1-4H3
InChIKeyOHDXDDCIQWXNPW-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.98
Rot. Bonds7

About N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine

N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79866036) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79866036
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(CN(CC)Cc2cccs2)CCC1(C)C
InChIInChI=1S/C17H30N2S/c1-5-18-16-14(9-10-17(16,3)4)12-19(6-2)13-15-8-7-11-20-15/h7-8,11,14,16,18H,5-6,9-10,12-13H2,1-4H3
InChIKeyOHDXDDCIQWXNPW-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine with MolForge

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Related Compounds

N-ethyl-5-[[ethyl(2-ethylbutyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865911
N,2,2-trimethyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopentan-1-amine
CID 79855579
N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 63122818
N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866407
2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79865626
N-ethyl-6-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853175
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557859
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64737229
1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone
CID 63914335
N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79842615
4-ethyl-2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612562

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine (CID 79866036) is N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine is CCNC1C(CN(CC)Cc2cccs2)CCC1(C)C.
What is the InChIKey of N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is OHDXDDCIQWXNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-18-16-14(9-10-17(16,3)4)12-19(6-2)13-15-8-7-11-20-15/h7-8,11,14,16,18H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine?
N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79866036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).