N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine

C14H23NS — CID 55207614

IUPACN-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine
SMILESCCNC1CCCCCC1Cc1cccs1
InChIInChI=1S/C14H23NS/c1-2-15-14-9-5-3-4-7-12(14)11-13-8-6-10-16-13/h6,8,10,12,14-15H,2-5,7,9,11H2,1H3
InChIKeyCUGXUIHXLXRLAG-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.85
Rot. Bonds4

About N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine

N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine (PubChem CID 55207614) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine
PubChem CID55207614
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine
SMILESCCNC1CCCCCC1Cc1cccs1
InChIInChI=1S/C14H23NS/c1-2-15-14-9-5-3-4-7-12(14)11-13-8-6-10-16-13/h6,8,10,12,14-15H,2-5,7,9,11H2,1H3
InChIKeyCUGXUIHXLXRLAG-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine
CID 79486152
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095
N-ethyl-2-thiophen-2-ylsulfinylcycloheptan-1-amine
CID 64651144
N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81034479
2-methyl-N-propyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64907493
4-tert-butyl-N-propyl-2-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 63401632
N-methyl-2-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63776082
N-ethyl-2-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 61381447
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine
CID 81017241
N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483367
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62610899

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine (CID 55207614) is N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine is CCNC1CCCCCC1Cc1cccs1.
What is the InChIKey of N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine?
The InChIKey is CUGXUIHXLXRLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-2-15-14-9-5-3-4-7-12(14)11-13-8-6-10-16-13/h6,8,10,12,14-15H,2-5,7,9,11H2,1H3.
What are the key properties of N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine?
N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 55207614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).