1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine

C8H20N4O — CID 102702163

IUPAC1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine
SMILESCOC(C)C/N=C(/NN)NC(C)C
InChIInChI=1S/C8H20N4O/c1-6(2)11-8(12-9)10-5-7(3)13-4/h6-7H,5,9H2,1-4H3,(H2,10,11,12)
InChIKeyUPFDVAYQDKZNAD-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.16
Rot. Bonds4

About 1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine

1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine (PubChem CID 102702163) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine
PubChem CID102702163
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine
SMILESCOC(C)C/N=C(/NN)NC(C)C
InChIInChI=1S/C8H20N4O/c1-6(2)11-8(12-9)10-5-7(3)13-4/h6-7H,5,9H2,1-4H3,(H2,10,11,12)
InChIKeyUPFDVAYQDKZNAD-UHFFFAOYSA-N
XLogP-0.16
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
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

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
1-Amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156
1-Amino-3-butyl-2-(2-methoxypropyl)guanidine
CID 102702157

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine (CID 102702163) is 1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine is COC(C)C/N=C(/NN)NC(C)C.
What is the InChIKey of 1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine?
The InChIKey is UPFDVAYQDKZNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-6(2)11-8(12-9)10-5-7(3)13-4/h6-7H,5,9H2,1-4H3,(H2,10,11,12).
What are the key properties of 1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine?
1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine has a molecular weight of 188.27 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine is sourced from PubChem (CID 102702163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).