N-(thiophen-2-ylmethyl)cycloheptanamine

C12H19NS — CID 4719997

IUPACN-(thiophen-2-ylmethyl)cycloheptanamine
SMILESc1csc(CNC2CCCCCC2)c1
InChIInChI=1S/C12H19NS/c1-2-4-7-11(6-3-1)13-10-12-8-5-9-14-12/h5,8-9,11,13H,1-4,6-7,10H2
InChIKeyVEUPQNCGQPDSKH-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.56
Rot. Bonds3

About N-(thiophen-2-ylmethyl)cycloheptanamine

N-(thiophen-2-ylmethyl)cycloheptanamine (PubChem CID 4719997) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)cycloheptanamine
PubChem CID4719997
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-(thiophen-2-ylmethyl)cycloheptanamine
SMILESc1csc(CNC2CCCCCC2)c1
InChIInChI=1S/C12H19NS/c1-2-4-7-11(6-3-1)13-10-12-8-5-9-14-12/h5,8-9,11,13H,1-4,6-7,10H2
InChIKeyVEUPQNCGQPDSKH-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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Related Compounds

4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
4-fluoro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 130678026
N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 142036010
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride
CID 17331804
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331809
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 961311
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65025495
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 95376419
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
1-(cyclopentylamino)-3-thiophen-2-ylpropan-2-one
CID 116558991

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)cycloheptanamine?
The IUPAC name of N-(thiophen-2-ylmethyl)cycloheptanamine (CID 4719997) is N-(thiophen-2-ylmethyl)cycloheptanamine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)cycloheptanamine?
The canonical SMILES for N-(thiophen-2-ylmethyl)cycloheptanamine is c1csc(CNC2CCCCCC2)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)cycloheptanamine?
The InChIKey is VEUPQNCGQPDSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-2-4-7-11(6-3-1)13-10-12-8-5-9-14-12/h5,8-9,11,13H,1-4,6-7,10H2.
What are the key properties of N-(thiophen-2-ylmethyl)cycloheptanamine?
N-(thiophen-2-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-2-ylmethyl)cycloheptanamine is sourced from PubChem (CID 4719997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).