1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine

C9H22N4O2 — CID 102702167

IUPAC1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine
SMILESCOCC(C)N/C(=N/CC(C)OC)NN
InChIInChI=1S/C9H22N4O2/c1-7(6-14-3)12-9(13-10)11-5-8(2)15-4/h7-8H,5-6,10H2,1-4H3,(H2,11,12,13)
InChIKeyXBROYAINMNNZIX-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.53
Rot. Bonds6

About 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine

1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine (PubChem CID 102702167) has the molecular formula C9H22N4O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine
PubChem CID102702167
Molecular FormulaC9H22N4O2
Molecular Weight218.30 g/mol
Exact Mass218.17
IUPAC Name1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine
SMILESCOCC(C)N/C(=N/CC(C)OC)NN
InChIInChI=1S/C9H22N4O2/c1-7(6-14-3)12-9(13-10)11-5-8(2)15-4/h7-8H,5-6,10H2,1-4H3,(H2,11,12,13)
InChIKeyXBROYAINMNNZIX-UHFFFAOYSA-N
XLogP-0.53
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.53
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-3-(1-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)guanidine
CID 104885799
1-Amino-3-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886399
1-Amino-2-(2,2-difluoroethyl)-3-(1-methoxypropan-2-yl)guanidine
CID 104887783
1-Amino-2-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylguanidine
CID 105921611
1-Amino-2-[2-(2,2-difluoroethoxy)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 105921617
1-Amino-2-(2-methoxyethyl)-3-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937751
1-Amino-3-(1-methoxypropan-2-yl)-2-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937766
1-Amino-3-(1-methoxypropan-2-yl)-2-(2,2,3,3-tetrafluoropropyl)guanidine
CID 106296460
1-Amino-3-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 113530918
1-Amino-3-(1-methoxypropan-2-yl)-2-(4,4,4-trifluorobutyl)guanidine
CID 113531338
2-Methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine
CID 166950375
1-Amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine?
The IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine (CID 102702167) is 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine is COCC(C)N/C(=N/CC(C)OC)NN.
What is the InChIKey of 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine?
The InChIKey is XBROYAINMNNZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O2/c1-7(6-14-3)12-9(13-10)11-5-8(2)15-4/h7-8H,5-6,10H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine?
1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine has a molecular weight of 218.30 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine is sourced from PubChem (CID 102702167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).