(1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine

C16H25N3 — CID 103937555

IUPAC(1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(N2CCC3CCCCC32)cn1
InChIInChI=1S/C16H25N3/c1-2-14(17)15-8-7-13(11-18-15)19-10-9-12-5-3-4-6-16(12)19/h7-8,11-12,14,16H,2-6,9-10,17H2,1H3/t12?,14-,16?/m0/s1
InChIKeyURCJLELWXFAVIT-UGWHAMFMSA-N
MW259.40 g/mol
LogP3.26
Rot. Bonds3

About (1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine

(1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine (PubChem CID 103937555) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine
PubChem CID103937555
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(N2CCC3CCCCC32)cn1
InChIInChI=1S/C16H25N3/c1-2-14(17)15-8-7-13(11-18-15)19-10-9-12-5-3-4-6-16(12)19/h7-8,11-12,14,16H,2-6,9-10,17H2,1H3/t12?,14-,16?/m0/s1
InChIKeyURCJLELWXFAVIT-UGWHAMFMSA-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 (1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine with MolForge

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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
(1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine
CID 103937439
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-methylazepan-1-yl)-2-pyridinyl]propan-1-amine
CID 103937411
3-[1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
CID 103937288
(1R)-1-[5-(2-cyclopentylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83132239
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]ethanol
CID 83132541
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-4-ol
CID 103936925
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-amine
CID 103936871
(1R)-1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]ethanol
CID 83132593
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 112584254
1-[1-[6-(1-aminopropyl)-3-pyridinyl]piperidin-4-yl]ethanol
CID 106836278

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine (CID 103937555) is (1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine is CC[C@H](N)c1ccc(N2CCC3CCCCC32)cn1.
What is the InChIKey of (1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine?
The InChIKey is URCJLELWXFAVIT-UGWHAMFMSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-14(17)15-8-7-13(11-18-15)19-10-9-12-5-3-4-6-16(12)19/h7-8,11-12,14,16H,2-6,9-10,17H2,1H3/t12?,14-,16?/m0/s1.
What are the key properties of (1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine?
(1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-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 (1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103937555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).