4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine

C14H22N2 — CID 60840995

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
SMILESCNCCCCN1CCCc2ccccc21
InChIInChI=1S/C14H22N2/c1-15-10-4-5-11-16-12-6-8-13-7-2-3-9-14(13)16/h2-3,7,9,15H,4-6,8,10-12H2,1H3
InChIKeyBNUDXDVMURWWIR-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.44
Rot. Bonds5

About 4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine

4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine (PubChem CID 60840995) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
PubChem CID60840995
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
SMILESCNCCCCN1CCCc2ccccc21
InChIInChI=1S/C14H22N2/c1-15-10-4-5-11-16-12-6-8-13-7-2-3-9-14(13)16/h2-3,7,9,15H,4-6,8,10-12H2,1H3
InChIKeyBNUDXDVMURWWIR-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 60840997
N-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]cyclopropanamine
CID 55069946
6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
8-(3,4-dihydro-2H-quinolin-1-yl)octan-1-amine
CID 13472131
6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylhexan-1-amine
CID 13472124
8-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyloctan-1-amine
CID 13472133
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
N-methyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-amine
CID 106799956
1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline
CID 28808284
1-(3-isocyanopropyl)-3,4-dihydro-2H-quinoline
CID 118704588

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine (CID 60840995) is 4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine is CNCCCCN1CCCc2ccccc21.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine?
The InChIKey is BNUDXDVMURWWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-15-10-4-5-11-16-12-6-8-13-7-2-3-9-14(13)16/h2-3,7,9,15H,4-6,8,10-12H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine?
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 60840995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).