N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine

C21H30N2 — CID 82450571

IUPACN-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1c2c(nc3ccc(C(C)C)cc13)CCCC2
InChIInChI=1S/C21H30N2/c1-5-15(4)22-13-19-17-8-6-7-9-20(17)23-21-11-10-16(14(2)3)12-18(19)21/h10-12,14-15,22H,5-9,13H2,1-4H3
InChIKeyWJKXQMZLDGWUJR-UHFFFAOYSA-N
MW310.49 g/mol
LogP5.13
Rot. Bonds5

About N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine

N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine (PubChem CID 82450571) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine
PubChem CID82450571
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC NameN-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1c2c(nc3ccc(C(C)C)cc13)CCCC2
InChIInChI=1S/C21H30N2/c1-5-15(4)22-13-19-17-8-6-7-9-20(17)23-21-11-10-16(14(2)3)12-18(19)21/h10-12,14-15,22H,5-9,13H2,1-4H3
InChIKeyWJKXQMZLDGWUJR-UHFFFAOYSA-N
XLogP5.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine with MolForge

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Related Compounds

N-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]butan-2-amine
CID 82450310
2-methyl-N-[(7-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]propan-1-amine
CID 82450539
2-methoxy-N-[(7-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450542
N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
CID 82451463
7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 82450560
7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 82450585
N-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450304
N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine
CID 82451364
(7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol
CID 82450476
9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine
CID 82450473
N-[(2,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-2-amine
CID 82450376
N-[(6,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methylpropan-1-amine
CID 82450952

Frequently Asked Questions

What is the IUPAC name of N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine?
The IUPAC name of N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine (CID 82450571) is N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine is CCC(C)NCc1c2c(nc3ccc(C(C)C)cc13)CCCC2.
What is the InChIKey of N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine?
The InChIKey is WJKXQMZLDGWUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-5-15(4)22-13-19-17-8-6-7-9-20(17)23-21-11-10-16(14(2)3)12-18(19)21/h10-12,14-15,22H,5-9,13H2,1-4H3.
What are the key properties of N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine?
N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine has a molecular weight of 310.49 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine is sourced from PubChem (CID 82450571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).