N-(cycloheptylmethyl)thiophen-3-amine

C12H19NS — CID 66350805

IUPACN-(cycloheptylmethyl)thiophen-3-amine
SMILESc1cc(NCC2CCCCCC2)cs1
InChIInChI=1S/C12H19NS/c1-2-4-6-11(5-3-1)9-13-12-7-8-14-10-12/h7-8,10-11,13H,1-6,9H2
InChIKeyJDURVHNEIBAXIS-UHFFFAOYSA-N
MW209.36 g/mol
LogP4.13
Rot. Bonds3

About N-(cycloheptylmethyl)thiophen-3-amine

N-(cycloheptylmethyl)thiophen-3-amine (PubChem CID 66350805) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-(cycloheptylmethyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)thiophen-3-amine
PubChem CID66350805
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-(cycloheptylmethyl)thiophen-3-amine
SMILESc1cc(NCC2CCCCCC2)cs1
InChIInChI=1S/C12H19NS/c1-2-4-6-11(5-3-1)9-13-12-7-8-14-10-12/h7-8,10-11,13H,1-6,9H2
InChIKeyJDURVHNEIBAXIS-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)thiophen-3-amine?
The IUPAC name of N-(cycloheptylmethyl)thiophen-3-amine (CID 66350805) is N-(cycloheptylmethyl)thiophen-3-amine.
What is the SMILES notation for N-(cycloheptylmethyl)thiophen-3-amine?
The canonical SMILES for N-(cycloheptylmethyl)thiophen-3-amine is c1cc(NCC2CCCCCC2)cs1.
What is the InChIKey of N-(cycloheptylmethyl)thiophen-3-amine?
The InChIKey is JDURVHNEIBAXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-2-4-6-11(5-3-1)9-13-12-7-8-14-10-12/h7-8,10-11,13H,1-6,9H2.
What are the key properties of N-(cycloheptylmethyl)thiophen-3-amine?
N-(cycloheptylmethyl)thiophen-3-amine has a molecular weight of 209.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)thiophen-3-amine is sourced from PubChem (CID 66350805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).