5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide

C17H21N3 — CID 82450255

IUPAC5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide
SMILES[H]/N=C(\N)c1c2c(nc3c(C(C)C)cccc13)CCCC2
InChIInChI=1S/C17H21N3/c1-10(2)11-7-5-8-13-15(17(18)19)12-6-3-4-9-14(12)20-16(11)13/h5,7-8,10H,3-4,6,9H2,1-2H3,(H3,18,19)
InChIKeyNNYKWADAHLGCBY-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.52
Rot. Bonds2

About 5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide

5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide (PubChem CID 82450255) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide.

Molecular Properties

Compound Name5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide
PubChem CID82450255
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide
SMILES[H]/N=C(\N)c1c2c(nc3c(C(C)C)cccc13)CCCC2
InChIInChI=1S/C17H21N3/c1-10(2)11-7-5-8-13-15(17(18)19)12-6-3-4-9-14(12)20-16(11)13/h5,7-8,10H,3-4,6,9H2,1-2H3,(H3,18,19)
InChIKeyNNYKWADAHLGCBY-UHFFFAOYSA-N
XLogP3.52
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(5-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methanamine
CID 82450260
2-(5-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)propan-2-amine
CID 82450262
5,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboximidamide
CID 82450740
6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide
CID 82451922
5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide
CID 82451215
5-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 611416
1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine
CID 82451910
1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine
CID 82451294
6-(2-propan-2-ylphenoxy)pyridine-2-carboximidamide
CID 64595176
2,6-dimethylbenzenecarboximidamide
CID 5047790
3-propan-2-ylpyridine-2-carboximidamide
CID 131699759
6-propan-2-yl-N-propyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473165

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide?
The IUPAC name of 5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide (CID 82450255) is 5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide.
What is the SMILES notation for 5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide?
The canonical SMILES for 5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide is [H]/N=C(\N)c1c2c(nc3c(C(C)C)cccc13)CCCC2.
What is the InChIKey of 5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide?
The InChIKey is NNYKWADAHLGCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-10(2)11-7-5-8-13-15(17(18)19)12-6-3-4-9-14(12)20-16(11)13/h5,7-8,10H,3-4,6,9H2,1-2H3,(H3,18,19).
What are the key properties of 5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide?
5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide has a molecular weight of 267.38 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboximidamide is sourced from PubChem (CID 82450255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).