1-amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine

C10H22N4O2 — CID 104882637

IUPAC1-amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine
SMILESCOCCCN/C(=N\CC1CCOC1)NN
InChIInChI=1S/C10H22N4O2/c1-15-5-2-4-12-10(14-11)13-7-9-3-6-16-8-9/h9H,2-8,11H2,1H3,(H2,12,13,14)
InChIKeyUBIATUBFNOGXHJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.53
Rot. Bonds6

About 1-amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine

1-amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine (PubChem CID 104882637) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine
PubChem CID104882637
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name1-amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine
SMILESCOCCCN/C(=N\CC1CCOC1)NN
InChIInChI=1S/C10H22N4O2/c1-15-5-2-4-12-10(14-11)13-7-9-3-6-16-8-9/h9H,2-8,11H2,1H3,(H2,12,13,14)
InChIKeyUBIATUBFNOGXHJ-UHFFFAOYSA-N
XLogP-0.53
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 1-amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine (CID 104882637) is 1-amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 1-amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine is COCCCN/C(=N\CC1CCOC1)NN.
What is the InChIKey of 1-amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine?
The InChIKey is UBIATUBFNOGXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-15-5-2-4-12-10(14-11)13-7-9-3-6-16-8-9/h9H,2-8,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine?
1-amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine has a molecular weight of 230.31 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-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 104882637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).