N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine

C17H30N2S — CID 79486152

IUPACN-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(C)CCc1cccs1
InChIInChI=1S/C17H30N2S/c1-3-18-17-10-6-4-5-8-15(17)14-19(2)12-11-16-9-7-13-20-16/h7,9,13,15,17-18H,3-6,8,10-12,14H2,1-2H3
InChIKeyMCBDEQDEGZZOCN-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.78
Rot. Bonds7

About N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine

N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine (PubChem CID 79486152) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine
PubChem CID79486152
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(C)CCc1cccs1
InChIInChI=1S/C17H30N2S/c1-3-18-17-10-6-4-5-8-15(17)14-19(2)12-11-16-9-7-13-20-16/h7,9,13,15,17-18H,3-6,8,10-12,14H2,1-2H3
InChIKeyMCBDEQDEGZZOCN-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 55207614
N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616177
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095
N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine
CID 62614406
N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494171
N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494562
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62608952
N-ethyl-2-[[methyl(3-methylbutyl)amino]methyl]cycloheptan-1-amine
CID 62610199
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62610899
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine
CID 79488069
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616023
N-ethyl-N-(2-thiophen-2-ylethyl)cyclohexanamine
CID 150257047

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine (CID 79486152) is N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine is CCNC1CCCCCC1CN(C)CCc1cccs1.
What is the InChIKey of N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine?
The InChIKey is MCBDEQDEGZZOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-3-18-17-10-6-4-5-8-15(17)14-19(2)12-11-16-9-7-13-20-16/h7,9,13,15,17-18H,3-6,8,10-12,14H2,1-2H3.
What are the key properties of N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine?
N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine is sourced from PubChem (CID 79486152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).