(E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine

C9H20N2O2 — CID 58730214

IUPAC(E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine
SMILESCNC(COC)[C@@H](/C=C/CN)OC
InChIInChI=1S/C9H20N2O2/c1-11-8(7-12-2)9(13-3)5-4-6-10/h4-5,8-9,11H,6-7,10H2,1-3H3/b5-4+/t8?,9-/m1/s1
InChIKeyKPSYPBUYMPDSMF-HOLAURBTSA-N
MW188.27 g/mol
LogP-0.25
Rot. Bonds7

About (E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine

(E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine (PubChem CID 58730214) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine.

Molecular Properties

Compound Name(E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine
PubChem CID58730214
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine
SMILESCNC(COC)[C@@H](/C=C/CN)OC
InChIInChI=1S/C9H20N2O2/c1-11-8(7-12-2)9(13-3)5-4-6-10/h4-5,8-9,11H,6-7,10H2,1-3H3/b5-4+/t8?,9-/m1/s1
InChIKeyKPSYPBUYMPDSMF-HOLAURBTSA-N
XLogP-0.25
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3S,6R)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 10933640
[(2S,3S,6S)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 11791340
[(2R,3S,6S)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 21592565
[(2R,3S,6R)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 21592566
(5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine
CID 145312229
(E)-1-methoxy-2-(methylamino)hept-4-en-3-ol
CID 21349590
(E,5R)-5,7-dimethoxy-6-(methylamino)hept-3-enal
CID 58730200
(E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine
CID 58730223
(E)-1-methoxy-2-(methylamino)hex-4-en-3-ol
CID 59728818
N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine
CID 91094343
N'-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]-N-methylpropane-1,3-diamine
CID 91198611
6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine
CID 91342909

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine?
The IUPAC name of (E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine (CID 58730214) is (E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine.
What is the SMILES notation for (E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine?
The canonical SMILES for (E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine is CNC(COC)[C@@H](/C=C/CN)OC.
What is the InChIKey of (E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine?
The InChIKey is KPSYPBUYMPDSMF-HOLAURBTSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-11-8(7-12-2)9(13-3)5-4-6-10/h4-5,8-9,11H,6-7,10H2,1-3H3/b5-4+/t8?,9-/m1/s1.
What are the key properties of (E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine?
(E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine has a molecular weight of 188.27 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine is sourced from PubChem (CID 58730214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).