6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid

C19H30N2O6 — CID 67642605

IUPAC6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid
SMILESCCCNC(C=CCN)CCc1cccc(OC)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C17H28N2O2.C2H2O4/c1-4-13-19-15(8-6-12-18)11-10-14-7-5-9-16(20-2)17(14)21-3;3-1(4)2(5)6/h5-9,15,19H,4,10-13,18H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyKVOKARWKKUMPQE-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.68
Rot. Bonds10

About 6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid

6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid (PubChem CID 67642605) has the molecular formula C19H30N2O6 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid.

Molecular Properties

Compound Name6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid
PubChem CID67642605
Molecular FormulaC19H30N2O6
Molecular Weight382.46 g/mol
Exact Mass382.21
IUPAC Name6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid
SMILESCCCNC(C=CCN)CCc1cccc(OC)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C17H28N2O2.C2H2O4/c1-4-13-19-15(8-6-12-18)11-10-14-7-5-9-16(20-2)17(14)21-3;3-1(4)2(5)6/h5-9,15,19H,4,10-13,18H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyKVOKARWKKUMPQE-UHFFFAOYSA-N
XLogP1.68
TPSA131.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid 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

(2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid
CID 124927388
2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide
CID 60904970
ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate
CID 43148320
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
1-amino-4-(2,3-dimethoxyphenyl)butan-2-one;hydrochloride
CID 67393300
methyl (E)-7-(2,3-dimethoxyphenyl)hept-4-enoate
CID 11265908
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
ethyl 3-(2,3-dimethoxyphenyl)-3-(propylamino)propanoate
CID 65235512
4-(2,3-dimethoxyphenyl)butanoic acid;hydrochloride
CID 139764480
2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 66702130
methyl 2-[(2,3-dimethoxyphenyl)methylamino]-3-methylpentanoate
CID 43732350

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid?
The IUPAC name of 6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid (CID 67642605) is 6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid.
What is the SMILES notation for 6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid?
The canonical SMILES for 6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid is CCCNC(C=CCN)CCc1cccc(OC)c1OC.O=C(O)C(=O)O.
What is the InChIKey of 6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid?
The InChIKey is KVOKARWKKUMPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.C2H2O4/c1-4-13-19-15(8-6-12-18)11-10-14-7-5-9-16(20-2)17(14)21-3;3-1(4)2(5)6/h5-9,15,19H,4,10-13,18H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid?
6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid has a molecular weight of 382.46 g/mol, XLogP of 1.68, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid is sourced from PubChem (CID 67642605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).