3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine

C9H20N4O — CID 104883526

IUPAC3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine
SMILESCOCC(C)/N=C(\NN)N(C)C1CC1
InChIInChI=1S/C9H20N4O/c1-7(6-14-3)11-9(12-10)13(2)8-4-5-8/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyCUEYLXRDDRSGCF-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.07
Rot. Bonds4

About 3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine

3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine (PubChem CID 104883526) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine
PubChem CID104883526
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine
SMILESCOCC(C)/N=C(\NN)N(C)C1CC1
InChIInChI=1S/C9H20N4O/c1-7(6-14-3)11-9(12-10)13(2)8-4-5-8/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyCUEYLXRDDRSGCF-UHFFFAOYSA-N
XLogP-0.07
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
CID 104887549
3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
CID 104883492
3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine
CID 104883585
3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 104886039
3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
CID 104883410
3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104887482
3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine
CID 104884792
3-amino-1-(4,4-dimethylcyclohexyl)-2-(2-methoxyethyl)-1-methylguanidine
CID 104887750
3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine
CID 104884085
3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine
CID 116515417
N'-(1-methoxypropan-2-yl)ethanimidamide
CID 62049796
N-amino-N'-(1-methoxypropan-2-yl)-2,3-dimethylpiperidine-1-carboximidamide
CID 104884194

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine?
The IUPAC name of 3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine (CID 104883526) is 3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine.
What is the SMILES notation for 3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine?
The canonical SMILES for 3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine is COCC(C)/N=C(\NN)N(C)C1CC1.
What is the InChIKey of 3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine?
The InChIKey is CUEYLXRDDRSGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-7(6-14-3)11-9(12-10)13(2)8-4-5-8/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine?
3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine has a molecular weight of 200.29 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine is sourced from PubChem (CID 104883526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).