1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine

C11H19N5O — CID 107587201

IUPAC1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine
SMILESCOCC(C)/N=C(\NN)Nc1cncc(C)c1
InChIInChI=1S/C11H19N5O/c1-8-4-10(6-13-5-8)15-11(16-12)14-9(2)7-17-3/h4-6,9H,7,12H2,1-3H3,(H2,14,15,16)
InChIKeyYISIDRYPPYLUGI-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.66
Rot. Bonds4

About 1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine

1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine (PubChem CID 107587201) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine
PubChem CID107587201
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine
SMILESCOCC(C)/N=C(\NN)Nc1cncc(C)c1
InChIInChI=1S/C11H19N5O/c1-8-4-10(6-13-5-8)15-11(16-12)14-9(2)7-17-3/h4-6,9H,7,12H2,1-3H3,(H2,14,15,16)
InChIKeyYISIDRYPPYLUGI-UHFFFAOYSA-N
XLogP0.66
TPSA84.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-amino-2-(1-methoxypropan-2-yl)-3-(4-methylphenyl)guanidine
CID 116512578
1-amino-2-(1-methoxypropan-2-yl)-3-quinolin-3-ylguanidine
CID 116511116
1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 116513815
1-amino-3-(3-bromo-4-fluorophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 116516443
1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine
CID 116514097
1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine
CID 116512716
1-amino-3-(2,4-dibromo-5-methoxyphenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 103417257
1-amino-3-(2-bromo-4,6-difluorophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 104883481
N-(1-methoxybutan-2-yl)-5-methylpyridin-3-amine
CID 115922303
1-amino-3-(2-chloro-4,6-difluorophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 104887980
1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 107639656
2-methoxy-N-(5-methyl-3-pyridinyl)acetamide
CID 103738953

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine?
The IUPAC name of 1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine (CID 107587201) is 1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine.
What is the SMILES notation for 1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine?
The canonical SMILES for 1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine is COCC(C)/N=C(\NN)Nc1cncc(C)c1.
What is the InChIKey of 1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine?
The InChIKey is YISIDRYPPYLUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-4-10(6-13-5-8)15-11(16-12)14-9(2)7-17-3/h4-6,9H,7,12H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine?
1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine has a molecular weight of 237.31 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine is sourced from PubChem (CID 107587201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).