3-pentylquinolin-2-amine

C14H18N2 — CID 86302334

IUPAC3-pentylquinolin-2-amine
SMILESCCCCCc1cc2ccccc2nc1N
InChIInChI=1S/C14H18N2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)16-14(12)15/h5-7,9-10H,2-4,8H2,1H3,(H2,15,16)
InChIKeySUVCNWHGWYIZJO-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.55
Rot. Bonds4

About 3-pentylquinolin-2-amine

3-pentylquinolin-2-amine (PubChem CID 86302334) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-pentylquinolin-2-amine.

Molecular Properties

Compound Name3-pentylquinolin-2-amine
PubChem CID86302334
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-pentylquinolin-2-amine
SMILESCCCCCc1cc2ccccc2nc1N
InChIInChI=1S/C14H18N2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)16-14(12)15/h5-7,9-10H,2-4,8H2,1H3,(H2,15,16)
InChIKeySUVCNWHGWYIZJO-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.55
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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Frequently Asked Questions

What is the IUPAC name of 3-pentylquinolin-2-amine?
The IUPAC name of 3-pentylquinolin-2-amine (CID 86302334) is 3-pentylquinolin-2-amine.
What is the SMILES notation for 3-pentylquinolin-2-amine?
The canonical SMILES for 3-pentylquinolin-2-amine is CCCCCc1cc2ccccc2nc1N.
What is the InChIKey of 3-pentylquinolin-2-amine?
The InChIKey is SUVCNWHGWYIZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)16-14(12)15/h5-7,9-10H,2-4,8H2,1H3,(H2,15,16).
What are the key properties of 3-pentylquinolin-2-amine?
3-pentylquinolin-2-amine has a molecular weight of 214.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylquinolin-2-amine is sourced from PubChem (CID 86302334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).