1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine

C13H18N2 — CID 174190362

IUPAC1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine
SMILESNC1CCCC2NC3CC=CC=C3C=C12
InChIInChI=1S/C13H18N2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13/h1-2,4,8,11-13,15H,3,5-7,14H2
InChIKeyRQYLEPLGCOQNNO-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.65
Rot. Bonds

About 1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine

1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine (PubChem CID 174190362) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine.

Molecular Properties

Compound Name1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine
PubChem CID174190362
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine
SMILESNC1CCCC2NC3CC=CC=C3C=C12
InChIInChI=1S/C13H18N2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13/h1-2,4,8,11-13,15H,3,5-7,14H2
InChIKeyRQYLEPLGCOQNNO-UHFFFAOYSA-N
XLogP1.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4,4a,5-hexahydronaphthalen-1-amine
CID 139821666
2,3,3a,4-tetrahydro-1H-benzimidazole-2-thiol
CID 87279684
2-(7,7a-dihydro-1H-indol-2-yl)-2-methylpropanoic acid
CID 70890581
1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone
CID 121005219
2-cyclohexylcyclohexa-2,4-dien-1-ol
CID 173193560
1,2,3,4,4a,5-hexahydronaphthalen-1-ol
CID 91026557
(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 139334579
3-amino-1,3,4,5,5a,6-hexahydro-1-benzazepin-2-one
CID 172713565
(10aS)-1,2,3,4,4a,5,10,10a-octahydroanthracene
CID 173454949
2-ethylcyclohexa-2,4-dien-1-amine
CID 123185856
1,2,3,4,5,10a-hexahydroanthracene
CID 173432226
1,3,3a,4-tetrahydro-2,1,3-benzoxadiazole
CID 74066925

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine?
The IUPAC name of 1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine (CID 174190362) is 1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine.
What is the SMILES notation for 1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine?
The canonical SMILES for 1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine is NC1CCCC2NC3CC=CC=C3C=C12.
What is the InChIKey of 1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine?
The InChIKey is RQYLEPLGCOQNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13/h1-2,4,8,11-13,15H,3,5-7,14H2.
What are the key properties of 1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine?
1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine has a molecular weight of 202.30 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,10,10a-octahydroacridin-1-amine is sourced from PubChem (CID 174190362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).