(E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine

C17H24N2 — CID 166091736

IUPAC(E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine
SMILESC=C/C=C1\C/C(=C\N)CC2(C)C1=CCCN2CC=C
InChIInChI=1S/C17H24N2/c1-4-7-15-11-14(13-18)12-17(3)16(15)8-6-10-19(17)9-5-2/h4-5,7-8,13H,1-2,6,9-12,18H2,3H3/b14-13+,15-7+
InChIKeyQRWZGIMJVCYBIU-JAPBCACMSA-N
MW256.39 g/mol
LogP3.31
Rot. Bonds3

About (E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine

(E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine (PubChem CID 166091736) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine
PubChem CID166091736
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine
SMILESC=C/C=C1\C/C(=C\N)CC2(C)C1=CCCN2CC=C
InChIInChI=1S/C17H24N2/c1-4-7-15-11-14(13-18)12-17(3)16(15)8-6-10-19(17)9-5-2/h4-5,7-8,13H,1-2,6,9-12,18H2,3H3/b14-13+,15-7+
InChIKeyQRWZGIMJVCYBIU-JAPBCACMSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine?
The IUPAC name of (E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine (CID 166091736) is (E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine.
What is the SMILES notation for (E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine?
The canonical SMILES for (E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine is C=C/C=C1\C/C(=C\N)CC2(C)C1=CCCN2CC=C.
What is the InChIKey of (E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine?
The InChIKey is QRWZGIMJVCYBIU-JAPBCACMSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-7-15-11-14(13-18)12-17(3)16(15)8-6-10-19(17)9-5-2/h4-5,7-8,13H,1-2,6,9-12,18H2,3H3/b14-13+,15-7+.
What are the key properties of (E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine?
(E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine has a molecular weight of 256.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(5E)-8a-methyl-1-prop-2-enyl-5-prop-2-enylidene-3,8-dihydro-2H-quinolin-7-ylidene]methanamine is sourced from PubChem (CID 166091736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).