1-butyl-3,4-dihydro-2H-quinolin-5-amine

C13H20N2 — CID 60972612

IUPAC1-butyl-3,4-dihydro-2H-quinolin-5-amine
SMILESCCCCN1CCCc2c(N)cccc21
InChIInChI=1S/C13H20N2/c1-2-3-9-15-10-5-6-11-12(14)7-4-8-13(11)15/h4,7-8H,2-3,5-6,9-10,14H2,1H3
InChIKeyMDQGJIBKVOSMSS-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.82
Rot. Bonds3

About 1-butyl-3,4-dihydro-2H-quinolin-5-amine

1-butyl-3,4-dihydro-2H-quinolin-5-amine (PubChem CID 60972612) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-butyl-3,4-dihydro-2H-quinolin-5-amine.

Molecular Properties

Compound Name1-butyl-3,4-dihydro-2H-quinolin-5-amine
PubChem CID60972612
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-butyl-3,4-dihydro-2H-quinolin-5-amine
SMILESCCCCN1CCCc2c(N)cccc21
InChIInChI=1S/C13H20N2/c1-2-3-9-15-10-5-6-11-12(14)7-4-8-13(11)15/h4,7-8H,2-3,5-6,9-10,14H2,1H3
InChIKeyMDQGJIBKVOSMSS-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,4-dihydro-2H-quinolin-5-amine?
The IUPAC name of 1-butyl-3,4-dihydro-2H-quinolin-5-amine (CID 60972612) is 1-butyl-3,4-dihydro-2H-quinolin-5-amine.
What is the SMILES notation for 1-butyl-3,4-dihydro-2H-quinolin-5-amine?
The canonical SMILES for 1-butyl-3,4-dihydro-2H-quinolin-5-amine is CCCCN1CCCc2c(N)cccc21.
What is the InChIKey of 1-butyl-3,4-dihydro-2H-quinolin-5-amine?
The InChIKey is MDQGJIBKVOSMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-3-9-15-10-5-6-11-12(14)7-4-8-13(11)15/h4,7-8H,2-3,5-6,9-10,14H2,1H3.
What are the key properties of 1-butyl-3,4-dihydro-2H-quinolin-5-amine?
1-butyl-3,4-dihydro-2H-quinolin-5-amine has a molecular weight of 204.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,4-dihydro-2H-quinolin-5-amine is sourced from PubChem (CID 60972612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).