2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine

C16H26N2 — CID 81080032

IUPAC2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
SMILESCCC(CN)CCN1CC(C)Cc2ccccc21
InChIInChI=1S/C16H26N2/c1-3-14(11-17)8-9-18-12-13(2)10-15-6-4-5-7-16(15)18/h4-7,13-14H,3,8-12,17H2,1-2H3
InChIKeyOZIQUDGNSOMSOK-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.06
Rot. Bonds5

About 2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine

2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine (PubChem CID 81080032) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
PubChem CID81080032
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
SMILESCCC(CN)CCN1CC(C)Cc2ccccc21
InChIInChI=1S/C16H26N2/c1-3-14(11-17)8-9-18-12-13(2)10-15-6-4-5-7-16(15)18/h4-7,13-14H,3,8-12,17H2,1-2H3
InChIKeyOZIQUDGNSOMSOK-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 64818927
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol
CID 64791398
5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 63404154
3-(aminomethyl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 81079948
ethyl 2-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 63465644
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)butanamide
CID 63466348
(2R)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-2-amine
CID 112736704
1-(4-bromobutyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63447089
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanamide
CID 63466530
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63404059
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
CID 15304197

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine?
The IUPAC name of 2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine (CID 81080032) is 2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine is CCC(CN)CCN1CC(C)Cc2ccccc21.
What is the InChIKey of 2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine?
The InChIKey is OZIQUDGNSOMSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14(11-17)8-9-18-12-13(2)10-15-6-4-5-7-16(15)18/h4-7,13-14H,3,8-12,17H2,1-2H3.
What are the key properties of 2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine?
2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine is sourced from PubChem (CID 81080032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).