N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine

C15H22N2S2 — CID 79966609

IUPACN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine
SMILESCCNC(C1CSCCS1)C1CCc2cccnc21
InChIInChI=1S/C15H22N2S2/c1-2-16-15(13-10-18-8-9-19-13)12-6-5-11-4-3-7-17-14(11)12/h3-4,7,12-13,15-16H,2,5-6,8-10H2,1H3
InChIKeyKYTCGQCRSHPWOQ-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.94
Rot. Bonds4

About N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine

N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine (PubChem CID 79966609) has the molecular formula C15H22N2S2 and a molecular weight of 294.49 g/mol. Its IUPAC name is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine
PubChem CID79966609
Molecular FormulaC15H22N2S2
Molecular Weight294.49 g/mol
Exact Mass294.12
IUPAC NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine
SMILESCCNC(C1CSCCS1)C1CCc2cccnc21
InChIInChI=1S/C15H22N2S2/c1-2-16-15(13-10-18-8-9-19-13)12-6-5-11-4-3-7-17-14(11)12/h3-4,7,12-13,15-16H,2,5-6,8-10H2,1H3
InChIKeyKYTCGQCRSHPWOQ-UHFFFAOYSA-N
XLogP2.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine
CID 79740041
1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79972508
1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79972633
N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79960772
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiolan-3-yl)methyl]hydrazine
CID 105322125
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105009967
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylpentan-1-amine
CID 79747782
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 79747811
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 79748872
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine
CID 79748328
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine
CID 80621797

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine?
The IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine (CID 79966609) is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine?
The canonical SMILES for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine is CCNC(C1CSCCS1)C1CCc2cccnc21.
What is the InChIKey of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine?
The InChIKey is KYTCGQCRSHPWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S2/c1-2-16-15(13-10-18-8-9-19-13)12-6-5-11-4-3-7-17-14(11)12/h3-4,7,12-13,15-16H,2,5-6,8-10H2,1H3.
What are the key properties of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine?
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine has a molecular weight of 294.49 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine is sourced from PubChem (CID 79966609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).