(1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

C18H27N3O — CID 154807276

IUPAC(1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESc1cn2c(n1)CC(CNC1[C@@H]3CCO[C@@H]3C13CCCC3)CC2
InChIInChI=1S/C18H27N3O/c1-2-6-18(5-1)16(14-4-10-22-17(14)18)20-12-13-3-8-21-9-7-19-15(21)11-13/h7,9,13-14,16-17,20H,1-6,8,10-12H2/t13?,14-,16?,17-/m0/s1
InChIKeyZTQBUNOWAKASKK-VLVHBFOGSA-N
MW301.43 g/mol
LogP2.38
Rot. Bonds3

About (1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

(1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (PubChem CID 154807276) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.

Molecular Properties

Compound Name(1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
PubChem CID154807276
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESc1cn2c(n1)CC(CNC1[C@@H]3CCO[C@@H]3C13CCCC3)CC2
InChIInChI=1S/C18H27N3O/c1-2-6-18(5-1)16(14-4-10-22-17(14)18)20-12-13-3-8-21-9-7-19-15(21)11-13/h7,9,13-14,16-17,20H,1-6,8,10-12H2/t13?,14-,16?,17-/m0/s1
InChIKeyZTQBUNOWAKASKK-VLVHBFOGSA-N
XLogP2.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine with MolForge

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Related Compounds

N-methyl-1-[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methanamine
CID 98013239
1-hydroxy-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]cyclohexane-1-carboxamide
CID 129329228
(1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 124856490
2-[(2R)-oxolan-2-yl]-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]ethanesulfonamide
CID 129340231
N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 115776651
N-propylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 115776639
(1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 124775706
N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 119033601
(1R,5R,6S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 99840678
N,N-dimethyl-1-[2-[[(1R,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]ethyl]piperidin-4-amine
CID 119036206
4-(hydroxymethyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperidine-1-carboxamide
CID 109398940
N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 115906623

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The IUPAC name of (1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (CID 154807276) is (1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.
What is the SMILES notation for (1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The canonical SMILES for (1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is c1cn2c(n1)CC(CNC1[C@@H]3CCO[C@@H]3C13CCCC3)CC2.
What is the InChIKey of (1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The InChIKey is ZTQBUNOWAKASKK-VLVHBFOGSA-N. The full InChI is InChI=1S/C18H27N3O/c1-2-6-18(5-1)16(14-4-10-22-17(14)18)20-12-13-3-8-21-9-7-19-15(21)11-13/h7,9,13-14,16-17,20H,1-6,8,10-12H2/t13?,14-,16?,17-/m0/s1.
What are the key properties of (1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
(1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine has a molecular weight of 301.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is sourced from PubChem (CID 154807276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).