1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane

C18H25N3O — CID 144688584

IUPAC1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane
SMILESCC.NCC(O)CN1c2ccccc2CCc2ncccc21
InChIInChI=1S/C16H19N3O.C2H6/c17-10-13(20)11-19-15-5-2-1-4-12(15)7-8-14-16(19)6-3-9-18-14;1-2/h1-6,9,13,20H,7-8,10-11,17H2;1-2H3
InChIKeyKWEZFTWKRLVTIA-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.66
Rot. Bonds3

About 1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane

1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane (PubChem CID 144688584) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane.

Molecular Properties

Compound Name1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane
PubChem CID144688584
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane
SMILESCC.NCC(O)CN1c2ccccc2CCc2ncccc21
InChIInChI=1S/C16H19N3O.C2H6/c17-10-13(20)11-19-15-5-2-1-4-12(15)7-8-14-16(19)6-3-9-18-14;1-2/h1-6,9,13,20H,7-8,10-11,17H2;1-2H3
InChIKeyKWEZFTWKRLVTIA-UHFFFAOYSA-N
XLogP2.66
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one
CID 82006279
N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide
CID 87711180
3-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 62670516
1-amino-3-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]propan-2-ol;oxalic acid;hydrate
CID 110169015
ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate
CID 82778791
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one
CID 115475527
4-chloro-N-[3-(5,6-dihydropyrimido[4,5-b][1]benzazepin-11-yl)propyl]benzenesulfonamide;3-(2,4,6,12-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl)propan-1-amine
CID 161411693
1-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 64820971
16-chloro-5-azatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene;methanamine
CID 165410301
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-(methylamino)propan-1-ol
CID 23619736
2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine
CID 117224043

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane?
The IUPAC name of 1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane (CID 144688584) is 1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane.
What is the SMILES notation for 1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane?
The canonical SMILES for 1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane is CC.NCC(O)CN1c2ccccc2CCc2ncccc21.
What is the InChIKey of 1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane?
The InChIKey is KWEZFTWKRLVTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.C2H6/c17-10-13(20)11-19-15-5-2-1-4-12(15)7-8-14-16(19)6-3-9-18-14;1-2/h1-6,9,13,20H,7-8,10-11,17H2;1-2H3.
What are the key properties of 1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane?
1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane has a molecular weight of 299.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5,6-dihydropyrido[3,2-b][1]benzazepin-11-yl)propan-2-ol;ethane is sourced from PubChem (CID 144688584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).