4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline

C14H21N — CID 163650090

IUPAC4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline
SMILESCCCC1(C)C=CC=C2N=CCC(C)C21
InChIInChI=1S/C14H21N/c1-4-8-14(3)9-5-6-12-13(14)11(2)7-10-15-12/h5-6,9-11,13H,4,7-8H2,1-3H3
InChIKeyILNPYPNSLJPSRK-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.97
Rot. Bonds2

About 4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline

4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline (PubChem CID 163650090) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline.

Molecular Properties

Compound Name4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline
PubChem CID163650090
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline
SMILESCCCC1(C)C=CC=C2N=CCC(C)C21
InChIInChI=1S/C14H21N/c1-4-8-14(3)9-5-6-12-13(14)11(2)7-10-15-12/h5-6,9-11,13H,4,7-8H2,1-3H3
InChIKeyILNPYPNSLJPSRK-UHFFFAOYSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(12cR,12dS)-12c,12d-dimethyl-11,12-dihydropyreno[5,4-b]pyridine
CID 139244148
(12cR,12dS)-12c,12d-dimethyl-2,7,11,12-tetrahydropyreno[5,4-b]pyridine
CID 139244157
5,10-Diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene
CID 54447262
7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline
CID 57030181
5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152617
5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152619
5-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-3H-pyrrole
CID 59152622
5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-3H-pyrrole
CID 59152627
8-[(2R)-butan-2-yl]-3,4,4a,7,8,8a-hexahydroquinoline
CID 68340966
Ethane;8-methyl-3,4,4a,5-tetrahydroquinoline
CID 91349973
3,4,4a,5-Tetrahydroquinoline
CID 91531603
(6S)-6-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-2-methylidene-4,5,6,7,8,9-hexahydro-3H-azecine
CID 121313684

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline?
The IUPAC name of 4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline (CID 163650090) is 4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline.
What is the SMILES notation for 4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline?
The canonical SMILES for 4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline is CCCC1(C)C=CC=C2N=CCC(C)C21.
What is the InChIKey of 4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline?
The InChIKey is ILNPYPNSLJPSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-8-14(3)9-5-6-12-13(14)11(2)7-10-15-12/h5-6,9-11,13H,4,7-8H2,1-3H3.
What are the key properties of 4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline?
4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline has a molecular weight of 203.33 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline is sourced from PubChem (CID 163650090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).