(E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine

C16H20N2 — CID 81221768

IUPAC(E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine
SMILESCC(C)NCC/C=C/c1cccc2ncccc12
InChIInChI=1S/C16H20N2/c1-13(2)17-11-4-3-7-14-8-5-10-16-15(14)9-6-12-18-16/h3,5-10,12-13,17H,4,11H2,1-2H3/b7-3+
InChIKeyKNNQGESLYLDODL-XVNBXDOJSA-N
MW240.35 g/mol
LogP3.64
Rot. Bonds5

About (E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine

(E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine (PubChem CID 81221768) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine
PubChem CID81221768
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine
SMILESCC(C)NCC/C=C/c1cccc2ncccc12
InChIInChI=1S/C16H20N2/c1-13(2)17-11-4-3-7-14-8-5-10-16-15(14)9-6-12-18-16/h3,5-10,12-13,17H,4,11H2,1-2H3/b7-3+
InChIKeyKNNQGESLYLDODL-XVNBXDOJSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.64
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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Related Compounds

N-(3-quinolin-5-ylprop-2-enyl)acetamide
CID 169465651
S-(3-quinolin-5-ylprop-2-enyl) ethanethioate
CID 169457408
N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79590331
(E)-3-quinolin-4-ylprop-2-en-1-ol
CID 22631016
N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide
CID 115752345
N-propan-2-yl-2-(quinolin-4-ylmethylidene)butan-1-amine
CID 79330015
(E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine
CID 112618757
N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine
CID 79598011
quinoline-5-carbaldehyde;hydrochloride
CID 174461977
4-[(Z)-prop-1-enyl]quinoline
CID 89064507
N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
CID 79737614
4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495257

Frequently Asked Questions

What is the IUPAC name of (E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine?
The IUPAC name of (E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine (CID 81221768) is (E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine.
What is the SMILES notation for (E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine?
The canonical SMILES for (E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine is CC(C)NCC/C=C/c1cccc2ncccc12.
What is the InChIKey of (E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine?
The InChIKey is KNNQGESLYLDODL-XVNBXDOJSA-N. The full InChI is InChI=1S/C16H20N2/c1-13(2)17-11-4-3-7-14-8-5-10-16-15(14)9-6-12-18-16/h3,5-10,12-13,17H,4,11H2,1-2H3/b7-3+.
What are the key properties of (E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine?
(E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine is sourced from PubChem (CID 81221768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).