(E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine

C19H32N4O — CID 177179675

IUPAC(E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine
SMILESC/N=C/C(=C\N)COC(C)C.CC(C)N1CCc2cccnc2C1
InChIInChI=1S/C11H16N2.C8H16N2O/c1-9(2)13-7-5-10-4-3-6-12-11(10)8-13;1-7(2)11-6-8(4-9)5-10-3/h3-4,6,9H,5,7-8H2,1-2H3;4-5,7H,6,9H2,1-3H3/b;8-4+,10-5+
InChIKeyDAFCBHZPPBVIBO-JETQYFIBSA-N
MW332.49 g/mol
LogP2.80
Rot. Bonds5

About (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine

(E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine (PubChem CID 177179675) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine.

Molecular Properties

Compound Name(E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine
PubChem CID177179675
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name(E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine
SMILESC/N=C/C(=C\N)COC(C)C.CC(C)N1CCc2cccnc2C1
InChIInChI=1S/C11H16N2.C8H16N2O/c1-9(2)13-7-5-10-4-3-6-12-11(10)8-13;1-7(2)11-6-8(4-9)5-10-3/h3-4,6,9H,5,7-8H2,1-2H3;4-5,7H,6,9H2,1-3H3/b;8-4+,10-5+
InChIKeyDAFCBHZPPBVIBO-JETQYFIBSA-N
XLogP2.80
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine
CID 134492393
3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 176961013
2-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 158745132
methyl 6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 76851912
2-propan-2-yloxy-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 112691124
5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)hexanal
CID 57278810
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72884084
5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine
CID 130728343
3-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 62670516
1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone
CID 105493357
[(2S)-1-methyl-5-propan-2-yl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529233
7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine
CID 164880666

Frequently Asked Questions

What is the IUPAC name of (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine?
The IUPAC name of (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine (CID 177179675) is (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine.
What is the SMILES notation for (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine?
The canonical SMILES for (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine is C/N=C/C(=C\N)COC(C)C.CC(C)N1CCc2cccnc2C1.
What is the InChIKey of (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine?
The InChIKey is DAFCBHZPPBVIBO-JETQYFIBSA-N. The full InChI is InChI=1S/C11H16N2.C8H16N2O/c1-9(2)13-7-5-10-4-3-6-12-11(10)8-13;1-7(2)11-6-8(4-9)5-10-3/h3-4,6,9H,5,7-8H2,1-2H3;4-5,7H,6,9H2,1-3H3/b;8-4+,10-5+.
What are the key properties of (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine?
(E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine has a molecular weight of 332.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(methyliminomethyl)-3-propan-2-yloxyprop-1-en-1-amine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 177179675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).