3-[(E)-pent-1-enyl]quinolin-2-amine

C14H16N2 — CID 118174563

IUPAC3-[(E)-pent-1-enyl]quinolin-2-amine
SMILESCCC/C=C/c1cc2ccccc2nc1N
InChIInChI=1S/C14H16N2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)16-14(12)15/h4-10H,2-3H2,1H3,(H2,15,16)/b8-4+
InChIKeyLXJXVWBEFJAKBY-XBXARRHUSA-N
MW212.30 g/mol
LogP3.63
Rot. Bonds3

About 3-[(E)-pent-1-enyl]quinolin-2-amine

3-[(E)-pent-1-enyl]quinolin-2-amine (PubChem CID 118174563) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-[(E)-pent-1-enyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[(E)-pent-1-enyl]quinolin-2-amine
PubChem CID118174563
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3-[(E)-pent-1-enyl]quinolin-2-amine
SMILESCCC/C=C/c1cc2ccccc2nc1N
InChIInChI=1S/C14H16N2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)16-14(12)15/h4-10H,2-3H2,1H3,(H2,15,16)/b8-4+
InChIKeyLXJXVWBEFJAKBY-XBXARRHUSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-pent-1-enyl]quinolin-2-amine?
The IUPAC name of 3-[(E)-pent-1-enyl]quinolin-2-amine (CID 118174563) is 3-[(E)-pent-1-enyl]quinolin-2-amine.
What is the SMILES notation for 3-[(E)-pent-1-enyl]quinolin-2-amine?
The canonical SMILES for 3-[(E)-pent-1-enyl]quinolin-2-amine is CCC/C=C/c1cc2ccccc2nc1N.
What is the InChIKey of 3-[(E)-pent-1-enyl]quinolin-2-amine?
The InChIKey is LXJXVWBEFJAKBY-XBXARRHUSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)16-14(12)15/h4-10H,2-3H2,1H3,(H2,15,16)/b8-4+.
What are the key properties of 3-[(E)-pent-1-enyl]quinolin-2-amine?
3-[(E)-pent-1-enyl]quinolin-2-amine has a molecular weight of 212.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-pent-1-enyl]quinolin-2-amine is sourced from PubChem (CID 118174563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).