N-(thiophen-3-ylmethyl)cycloheptanamine

C12H19NS — CID 4723869

IUPACN-(thiophen-3-ylmethyl)cycloheptanamine
SMILESc1cc(CNC2CCCCCC2)cs1
InChIInChI=1S/C12H19NS/c1-2-4-6-12(5-3-1)13-9-11-7-8-14-10-11/h7-8,10,12-13H,1-6,9H2
InChIKeyQLYHMMKHSOCJNW-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.56
Rot. Bonds3

About N-(thiophen-3-ylmethyl)cycloheptanamine

N-(thiophen-3-ylmethyl)cycloheptanamine (PubChem CID 4723869) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)cycloheptanamine
PubChem CID4723869
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-(thiophen-3-ylmethyl)cycloheptanamine
SMILESc1cc(CNC2CCCCCC2)cs1
InChIInChI=1S/C12H19NS/c1-2-4-6-12(5-3-1)13-9-11-7-8-14-10-11/h7-8,10,12-13H,1-6,9H2
InChIKeyQLYHMMKHSOCJNW-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)cycloheptanamine?
The IUPAC name of N-(thiophen-3-ylmethyl)cycloheptanamine (CID 4723869) is N-(thiophen-3-ylmethyl)cycloheptanamine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)cycloheptanamine?
The canonical SMILES for N-(thiophen-3-ylmethyl)cycloheptanamine is c1cc(CNC2CCCCCC2)cs1.
What is the InChIKey of N-(thiophen-3-ylmethyl)cycloheptanamine?
The InChIKey is QLYHMMKHSOCJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-2-4-6-12(5-3-1)13-9-11-7-8-14-10-11/h7-8,10,12-13H,1-6,9H2.
What are the key properties of N-(thiophen-3-ylmethyl)cycloheptanamine?
N-(thiophen-3-ylmethyl)cycloheptanamine has a molecular weight of 209.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)cycloheptanamine is sourced from PubChem (CID 4723869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).