1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine

C19H30N4O3 — CID 110029472

IUPAC1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine
SMILESCOc1ccc(C(C/N=C(\N)N(C)C2CC2)N2CCOCC2)cc1OC
InChIInChI=1S/C19H30N4O3/c1-22(15-5-6-15)19(20)21-13-16(23-8-10-26-11-9-23)14-4-7-17(24-2)18(12-14)25-3/h4,7,12,15-16H,5-6,8-11,13H2,1-3H3,(H2,20,21)
InChIKeyMAOIKWZAZQXWIL-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.49
Rot. Bonds7

About 1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine

1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine (PubChem CID 110029472) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine
PubChem CID110029472
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine
SMILESCOc1ccc(C(C/N=C(\N)N(C)C2CC2)N2CCOCC2)cc1OC
InChIInChI=1S/C19H30N4O3/c1-22(15-5-6-15)19(20)21-13-16(23-8-10-26-11-9-23)14-4-7-17(24-2)18(12-14)25-3/h4,7,12,15-16H,5-6,8-11,13H2,1-3H3,(H2,20,21)
InChIKeyMAOIKWZAZQXWIL-UHFFFAOYSA-N
XLogP1.49
TPSA72.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
CID 110919680
N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919679
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110925124
1-cyclopropyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylguanidine;hydroiodide
CID 110029451
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914487
1-cyclopropyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylguanidine;hydroiodide
CID 110029515
1-cyclopropyl-1-methyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110030013
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111028252
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111028270
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-[3-(dimethylamino)propyl]-3-ethylguanidine
CID 111312854
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111124419
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(3-methylphenyl)guanidine
CID 111028236

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine (CID 110029472) is 1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine is COc1ccc(C(C/N=C(\N)N(C)C2CC2)N2CCOCC2)cc1OC.
What is the InChIKey of 1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine?
The InChIKey is MAOIKWZAZQXWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-22(15-5-6-15)19(20)21-13-16(23-8-10-26-11-9-23)14-4-7-17(24-2)18(12-14)25-3/h4,7,12,15-16H,5-6,8-11,13H2,1-3H3,(H2,20,21).
What are the key properties of 1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine?
1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine has a molecular weight of 362.47 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine is sourced from PubChem (CID 110029472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).