N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine

C20H28N2 — CID 82450145

IUPACN-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine
SMILESCCc1cccc2c(CNCC(C)C)c3c(nc12)CCCC3
InChIInChI=1S/C20H28N2/c1-4-15-8-7-10-17-18(13-21-12-14(2)3)16-9-5-6-11-19(16)22-20(15)17/h7-8,10,14,21H,4-6,9,11-13H2,1-3H3
InChIKeyAKHQRBKOIKXSQN-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.42
Rot. Bonds5

About N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine

N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine (PubChem CID 82450145) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine
PubChem CID82450145
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC NameN-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine
SMILESCCc1cccc2c(CNCC(C)C)c3c(nc12)CCCC3
InChIInChI=1S/C20H28N2/c1-4-15-8-7-10-17-18(13-21-12-14(2)3)16-9-5-6-11-19(16)22-20(15)17/h7-8,10,14,21H,4-6,9,11-13H2,1-3H3
InChIKeyAKHQRBKOIKXSQN-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(5-methyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine
CID 82450020
9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 82450114
N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine
CID 82451207
N-[(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-2-amine
CID 82450173
1-(5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanamine
CID 82450132
N-[(6,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methylpropan-1-amine
CID 82450952
N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
CID 82451889
2-methyl-N-[(7-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]propan-1-amine
CID 82450539
5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82450100
(5-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methanamine
CID 82450260
N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine
CID 82450662
N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine
CID 82451066

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine (CID 82450145) is N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine is CCc1cccc2c(CNCC(C)C)c3c(nc12)CCCC3.
What is the InChIKey of N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is AKHQRBKOIKXSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-4-15-8-7-10-17-18(13-21-12-14(2)3)16-9-5-6-11-19(16)22-20(15)17/h7-8,10,14,21H,4-6,9,11-13H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine?
N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 296.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82450145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).