(E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine

C17H22N2 — CID 103093597

IUPAC(E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1ccc2ccccc2n1
InChIInChI=1S/C17H22N2/c1-4-11-18-14(3)13(2)12-16-10-9-15-7-5-6-8-17(15)19-16/h5-10,12,14,18H,4,11H2,1-3H3/b13-12+
InChIKeyYMJPBFFVHQEVKD-OUKQBFOZSA-N
MW254.38 g/mol
LogP4.03
Rot. Bonds5

About (E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine

(E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine (PubChem CID 103093597) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine
PubChem CID103093597
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1ccc2ccccc2n1
InChIInChI=1S/C17H22N2/c1-4-11-18-14(3)13(2)12-16-10-9-15-7-5-6-8-17(15)19-16/h5-10,12,14,18H,4,11H2,1-3H3/b13-12+
InChIKeyYMJPBFFVHQEVKD-OUKQBFOZSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine?
The IUPAC name of (E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine (CID 103093597) is (E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine.
What is the SMILES notation for (E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine?
The canonical SMILES for (E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine is CCCNC(C)/C(C)=C/c1ccc2ccccc2n1.
What is the InChIKey of (E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine?
The InChIKey is YMJPBFFVHQEVKD-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-11-18-14(3)13(2)12-16-10-9-15-7-5-6-8-17(15)19-16/h5-10,12,14,18H,4,11H2,1-3H3/b13-12+.
What are the key properties of (E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine?
(E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine has a molecular weight of 254.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine is sourced from PubChem (CID 103093597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).