N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine

C15H21NS — CID 20726965

IUPACN-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESc1csc(CNC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C15H21NS/c1-4-12-10-7-14(13(12)5-1)15(8-10)16-9-11-3-2-6-17-11/h2-3,6,10,12-16H,1,4-5,7-9H2
InChIKeyPCSLNQADCRGSAW-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.66
Rot. Bonds3

About N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 20726965) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID20726965
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESc1csc(CNC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C15H21NS/c1-4-12-10-7-14(13(12)5-1)15(8-10)16-9-11-3-2-6-17-11/h2-3,6,10,12-16H,1,4-5,7-9H2
InChIKeyPCSLNQADCRGSAW-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43726768
N-(2-methyl-2-thiophen-2-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 80526434
N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 16775468
N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43223238
N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223708
N-(pyridin-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 20726962
2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65025495
(1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 15523767
(1R,2R,6S,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 18557367
[3-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenyl]methanol;hydrochloride
CID 139951785
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
CID 46869807

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 20726965) is N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine is c1csc(CNC2CC3CC2C2CCCC32)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is PCSLNQADCRGSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-4-12-10-7-14(13(12)5-1)15(8-10)16-9-11-3-2-6-17-11/h2-3,6,10,12-16H,1,4-5,7-9H2.
What are the key properties of N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 247.41 g/mol, XLogP of 3.66, 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)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 20726965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).