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

C16H25N3 — CID 103937439

IUPAC(1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(N2CCCC3CCCC32)cn1
InChIInChI=1S/C16H25N3/c1-2-14(17)15-9-8-13(11-18-15)19-10-4-6-12-5-3-7-16(12)19/h8-9,11-12,14,16H,2-7,10,17H2,1H3/t12?,14-,16?/m1/s1
InChIKeyZJOMPAHGUJPMHK-CXOJTPOUSA-N
MW259.40 g/mol
LogP3.26
Rot. Bonds3

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

(1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine (PubChem CID 103937439) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine
PubChem CID103937439
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(N2CCCC3CCCC32)cn1
InChIInChI=1S/C16H25N3/c1-2-14(17)15-9-8-13(11-18-15)19-10-4-6-12-5-3-7-16(12)19/h8-9,11-12,14,16H,2-7,10,17H2,1H3/t12?,14-,16?/m1/s1
InChIKeyZJOMPAHGUJPMHK-CXOJTPOUSA-N
XLogP3.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

1-[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridinyl]propan-1-amine
CID 102726759
(1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine
CID 103937555
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940385
(1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]ethanol
CID 83132593
3-[1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
CID 103937288
(1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine
CID 103937411
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol
CID 83132541
(1R)-1-[5-(2-cyclopentylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83132239
1-[6-(1-aminopropyl)-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 112584494
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-amine
CID 103936871
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-4-ol
CID 103936925
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]propan-1-one
CID 115938932

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine (CID 103937439) is (1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine is CC[C@@H](N)c1ccc(N2CCCC3CCCC32)cn1.
What is the InChIKey of (1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine?
The InChIKey is ZJOMPAHGUJPMHK-CXOJTPOUSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-14(17)15-9-8-13(11-18-15)19-10-4-6-12-5-3-7-16(12)19/h8-9,11-12,14,16H,2-7,10,17H2,1H3/t12?,14-,16?/m1/s1.
What are the key properties of (1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine?
(1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103937439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).