N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine

C18H29N3 — CID 80638431

IUPACN-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1N1CCCC2CCCC21
InChIInChI=1S/C18H29N3/c1-13(2)19-11-15-10-14(3)18(20-12-15)21-9-5-7-16-6-4-8-17(16)21/h10,12-13,16-17,19H,4-9,11H2,1-3H3
InChIKeyBOIFRZSFMLJDAQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.66
Rot. Bonds4

About N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine

N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 80638431) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID80638431
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1N1CCCC2CCCC21
InChIInChI=1S/C18H29N3/c1-13(2)19-11-15-10-14(3)18(20-12-15)21-9-5-7-16-6-4-8-17(16)21/h10,12-13,16-17,19H,4-9,11H2,1-3H3
InChIKeyBOIFRZSFMLJDAQ-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 82752931
1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80636278
(4aR,8aR)-1-[5-(chloromethyl)-3-methyl-2-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727193
[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80636209
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 82749684
2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228161
N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80628155
N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 80629574
N-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 102728402
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62294590
N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80627944
2-methyl-N-[[5-methyl-6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80629769

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine (CID 80638431) is N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)cnc1N1CCCC2CCCC21.
What is the InChIKey of N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is BOIFRZSFMLJDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13(2)19-11-15-10-14(3)18(20-12-15)21-9-5-7-16-6-4-8-17(16)21/h10,12-13,16-17,19H,4-9,11H2,1-3H3.
What are the key properties of N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 80638431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).