(Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine

C14H19N3 — CID 145090918

IUPAC(Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine
SMILES[H]/N=C(\C=C(\C)N)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C14H19N3/c1-10(15)8-13(16)11-5-6-14-12(9-11)4-3-7-17(14)2/h5-6,8-9,16H,3-4,7,15H2,1-2H3/b10-8-,16-13+
InChIKeyQKOXSNQPUJTZES-GDVMHIJESA-N
MW229.33 g/mol
LogP2.30
Rot. Bonds2

About (Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine

(Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine (PubChem CID 145090918) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine
PubChem CID145090918
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine
SMILES[H]/N=C(\C=C(\C)N)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C14H19N3/c1-10(15)8-13(16)11-5-6-14-12(9-11)4-3-7-17(14)2/h5-6,8-9,16H,3-4,7,15H2,1-2H3/b10-8-,16-13+
InChIKeyQKOXSNQPUJTZES-GDVMHIJESA-N
XLogP2.30
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-methyl-7-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)octa-2,4,6-trienoate
CID 54007098
fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 142338422
ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine
CID 144840756
3-methyl-7-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)octa-2,4,6-trienoic acid
CID 54052728
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-nitropropan-1-one
CID 151369049
2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine
CID 79329028
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
CID 110916631
N-[(1E,3Z)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)penta-1,3-dienyl]ethanimidoyl cyanide
CID 145091248
1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
CID 2793014
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
1-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinoline
CID 82538182
methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate
CID 110485913

Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine?
The IUPAC name of (Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine (CID 145090918) is (Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine.
What is the SMILES notation for (Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine?
The canonical SMILES for (Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine is [H]/N=C(\C=C(\C)N)c1ccc2c(c1)CCCN2C.
What is the InChIKey of (Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine?
The InChIKey is QKOXSNQPUJTZES-GDVMHIJESA-N. The full InChI is InChI=1S/C14H19N3/c1-10(15)8-13(16)11-5-6-14-12(9-11)4-3-7-17(14)2/h5-6,8-9,16H,3-4,7,15H2,1-2H3/b10-8-,16-13+.
What are the key properties of (Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine?
(Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)but-2-en-2-amine is sourced from PubChem (CID 145090918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).