1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine

C11H24N4O3 — CID 104888795

IUPAC1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(=N/CC1(OC)CCOC1)NN
InChIInChI=1S/C11H24N4O3/c1-9(6-16-2)14-10(15-12)13-7-11(17-3)4-5-18-8-11/h9H,4-8,12H2,1-3H3,(H2,13,14,15)
InChIKeyOZKMSAHFUZFBFV-UHFFFAOYSA-N
MW260.34 g/mol
LogP-0.76
Rot. Bonds6

About 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine

1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine (PubChem CID 104888795) has the molecular formula C11H24N4O3 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine
PubChem CID104888795
Molecular FormulaC11H24N4O3
Molecular Weight260.34 g/mol
Exact Mass260.18
IUPAC Name1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(=N/CC1(OC)CCOC1)NN
InChIInChI=1S/C11H24N4O3/c1-9(6-16-2)14-10(15-12)13-7-11(17-3)4-5-18-8-11/h9H,4-8,12H2,1-3H3,(H2,13,14,15)
InChIKeyOZKMSAHFUZFBFV-UHFFFAOYSA-N
XLogP-0.76
TPSA90.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine (CID 104888795) is 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine is COCC(C)N/C(=N/CC1(OC)CCOC1)NN.
What is the InChIKey of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine?
The InChIKey is OZKMSAHFUZFBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3/c1-9(6-16-2)14-10(15-12)13-7-11(17-3)4-5-18-8-11/h9H,4-8,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine?
1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine has a molecular weight of 260.34 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 104888795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).