N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine

C17H24N2 — CID 134873276

IUPACN,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine
SMILESCCN(CC)C1=C(C)C(=C(C)C)N=C2C=CC=CC21
InChIInChI=1S/C17H24N2/c1-6-19(7-2)17-13(5)16(12(3)4)18-15-11-9-8-10-14(15)17/h8-11,14H,6-7H2,1-5H3
InChIKeyUIJGKCABUMIBAK-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.09
Rot. Bonds3

About N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine

N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine (PubChem CID 134873276) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine
PubChem CID134873276
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine
SMILESCCN(CC)C1=C(C)C(=C(C)C)N=C2C=CC=CC21
InChIInChI=1S/C17H24N2/c1-6-19(7-2)17-13(5)16(12(3)4)18-15-11-9-8-10-14(15)17/h8-11,14H,6-7H2,1-5H3
InChIKeyUIJGKCABUMIBAK-UHFFFAOYSA-N
XLogP4.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-6,7-dihydroindolo[2,3-a]quinolizine
CID 10933868
2-Fluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 152758496
1-[(Z)-1-(4-but-3-enyl-2,3-difluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]-3-methyl-2-methylidenepyrazine
CID 169623338
3,3-difluoro-N-methyl-N-[(1E)-1-(6-methyliminocyclohexa-2,4-dien-1-ylidene)ethyl]butan-1-amine;ethane
CID 178089541
n-Methylharman
CID 23113700
1-Ethylpyrrolo[2,3-h]quinoline
CID 129782327
1-Ethyl-3h-pyrrolo[2,3-h]quinoline
CID 129782498
2-Diethylamino-3h-acridine
CID 137346134
8,11-Dichloro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline;hydrochloride
CID 172019443
8,11-Dichloro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 172019444
6,7-Difluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline
CID 172019570
6,7-Difluoro-5-methyl-4a,5b-dihydroindolo[3,2-b]quinoline;hydrochloride
CID 172019811

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine?
The IUPAC name of N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine (CID 134873276) is N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine.
What is the SMILES notation for N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine?
The canonical SMILES for N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine is CCN(CC)C1=C(C)C(=C(C)C)N=C2C=CC=CC21.
What is the InChIKey of N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine?
The InChIKey is UIJGKCABUMIBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-6-19(7-2)17-13(5)16(12(3)4)18-15-11-9-8-10-14(15)17/h8-11,14H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine?
N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine has a molecular weight of 256.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-2-propan-2-ylidene-4aH-quinolin-4-amine is sourced from PubChem (CID 134873276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).