1-amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine

C11H24N4O2 — CID 104887736

IUPAC1-amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine
SMILESCOCCCN/C(=N\CC1(C)CCCO1)NN
InChIInChI=1S/C11H24N4O2/c1-11(5-3-8-17-11)9-14-10(15-12)13-6-4-7-16-2/h3-9,12H2,1-2H3,(H2,13,14,15)
InChIKeyOGECHPUMUSYOMC-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.00
Rot. Bonds6

About 1-amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine

1-amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine (PubChem CID 104887736) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine
PubChem CID104887736
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name1-amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine
SMILESCOCCCN/C(=N\CC1(C)CCCO1)NN
InChIInChI=1S/C11H24N4O2/c1-11(5-3-8-17-11)9-14-10(15-12)13-6-4-7-16-2/h3-9,12H2,1-2H3,(H2,13,14,15)
InChIKeyOGECHPUMUSYOMC-UHFFFAOYSA-N
XLogP0.00
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.00
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-[(2-methyloxolan-2-yl)methyl]guanidine?
The IUPAC name of 1-amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine (CID 104887736) is 1-amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine?
The canonical SMILES for 1-amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine is COCCCN/C(=N\CC1(C)CCCO1)NN.
What is the InChIKey of 1-amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine?
The InChIKey is OGECHPUMUSYOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-11(5-3-8-17-11)9-14-10(15-12)13-6-4-7-16-2/h3-9,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine?
1-amino-3-(3-methoxypropyl)-2-[(2-methyloxolan-2-yl)methyl]guanidine has a molecular weight of 244.34 g/mol, XLogP of 0.00, 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-[(2-methyloxolan-2-yl)methyl]guanidine is sourced from PubChem (CID 104887736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).