1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine

C13H17N3O — CID 23434302

IUPAC1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine
SMILESCC(N)Cc1[nH]nc2ccc3c(c12)CCCO3
InChIInChI=1S/C13H17N3O/c1-8(14)7-11-13-9-3-2-6-17-12(9)5-4-10(13)15-16-11/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,16)
InChIKeyXYUDQJZEUKWGAL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.78
Rot. Bonds2

About 1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine

1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine (PubChem CID 23434302) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine
PubChem CID23434302
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine
SMILESCC(N)Cc1[nH]nc2ccc3c(c12)CCCO3
InChIInChI=1S/C13H17N3O/c1-8(14)7-11-13-9-3-2-6-17-12(9)5-4-10(13)15-16-11/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,16)
InChIKeyXYUDQJZEUKWGAL-UHFFFAOYSA-N
XLogP1.78
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(5-fluoro-2H-indazol-3-yl)propan-2-amine
CID 92670275
5-methyl-3,4-dihydro-2H-chromene-6-carbaldehyde
CID 139659158
1-(7-methyl-2H-indazol-3-yl)propan-2-amine
CID 83907203
5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane
CID 143804461
1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine
CID 116897942
6,7-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine;methane
CID 143804420
2-butan-2-yl-3,7,8,9-tetrahydropyrano[3,2-e]indole
CID 156516405
1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine
CID 82244039
(2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine
CID 130612679
(2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol
CID 131142085
1-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)propan-2-amine
CID 69408234
N',N'-dimethyl-N-(1-oxido-9,10-dihydro-8H-pyrano[2,3-h][1,2,4]benzotriazin-1-ium-3-yl)ethane-1,2-diamine
CID 25139886

Frequently Asked Questions

What is the IUPAC name of 1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine?
The IUPAC name of 1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine (CID 23434302) is 1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine?
The canonical SMILES for 1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine is CC(N)Cc1[nH]nc2ccc3c(c12)CCCO3.
What is the InChIKey of 1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine?
The InChIKey is XYUDQJZEUKWGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(14)7-11-13-9-3-2-6-17-12(9)5-4-10(13)15-16-11/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,16).
What are the key properties of 1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine?
1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7,8,9-tetrahydropyrano[3,2-e]indazol-1-yl)propan-2-amine is sourced from PubChem (CID 23434302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).