1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine

C8H18N4O — CID 102702165

IUPAC1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine
SMILESCOC(C)C/N=C(\NN)NC1CC1
InChIInChI=1S/C8H18N4O/c1-6(13-2)5-10-8(12-9)11-7-3-4-7/h6-7H,3-5,9H2,1-2H3,(H2,10,11,12)
InChIKeySXPSKILSIWBHAY-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.41
Rot. Bonds4

About 1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine

1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine (PubChem CID 102702165) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine
PubChem CID102702165
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine
SMILESCOC(C)C/N=C(\NN)NC1CC1
InChIInChI=1S/C8H18N4O/c1-6(13-2)5-10-8(12-9)11-7-3-4-7/h6-7H,3-5,9H2,1-2H3,(H2,10,11,12)
InChIKeySXPSKILSIWBHAY-UHFFFAOYSA-N
XLogP-0.41
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.41
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-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104886401
1-Amino-3-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
CID 105921610
1-Amino-2-(2-methoxyethyl)-3-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937751
1-Cyclopropyl-2-(2-methoxypropyl)guanidine
CID 102698572
1-Amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156
1-Amino-3-butyl-2-(2-methoxypropyl)guanidine
CID 102702157
1-Amino-3-cyclohexyl-2-(2-methoxypropyl)guanidine
CID 102702158
1-Amino-3-(2-methoxypropyl)-2-(2-methylpropyl)guanidine
CID 102702159
1-Amino-3-(2-methoxypropyl)-2-methylguanidine
CID 102702160
1-Amino-2-(2-methoxypropyl)-3-propylguanidine
CID 102702161
1-Amino-3-ethyl-2-(2-methoxypropyl)guanidine
CID 102702162
1-Amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine
CID 102702163

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine?
The IUPAC name of 1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine (CID 102702165) is 1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine is COC(C)C/N=C(\NN)NC1CC1.
What is the InChIKey of 1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine?
The InChIKey is SXPSKILSIWBHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-6(13-2)5-10-8(12-9)11-7-3-4-7/h6-7H,3-5,9H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine?
1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine has a molecular weight of 186.26 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine is sourced from PubChem (CID 102702165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).