1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine

C10H22N4O2 — CID 104888800

IUPAC1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine
SMILESCOC1(C/N=C(/NN)NC(C)C)CCOC1
InChIInChI=1S/C10H22N4O2/c1-8(2)13-9(14-11)12-6-10(15-3)4-5-16-7-10/h8H,4-7,11H2,1-3H3,(H2,12,13,14)
InChIKeyBUVWYKSURZXXPX-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.39
Rot. Bonds4

About 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine

1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine (PubChem CID 104888800) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine
PubChem CID104888800
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine
SMILESCOC1(C/N=C(/NN)NC(C)C)CCOC1
InChIInChI=1S/C10H22N4O2/c1-8(2)13-9(14-11)12-6-10(15-3)4-5-16-7-10/h8H,4-7,11H2,1-3H3,(H2,12,13,14)
InChIKeyBUVWYKSURZXXPX-UHFFFAOYSA-N
XLogP-0.39
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.39
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine (CID 104888800) is 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine is COC1(C/N=C(/NN)NC(C)C)CCOC1.
What is the InChIKey of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine?
The InChIKey is BUVWYKSURZXXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-8(2)13-9(14-11)12-6-10(15-3)4-5-16-7-10/h8H,4-7,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine?
1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine has a molecular weight of 230.31 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(3-methoxyoxolan-3-yl)methyl]-3-propan-2-ylguanidine is sourced from PubChem (CID 104888800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).