1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine

C10H24N4O — CID 104882841

IUPAC1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine
SMILESCCC(CC)/N=C(/NN)NC(C)COC
InChIInChI=1S/C10H24N4O/c1-5-9(6-2)13-10(14-11)12-8(3)7-15-4/h8-9H,5-7,11H2,1-4H3,(H2,12,13,14)
InChIKeyVTNAGVXEZFQALR-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.62
Rot. Bonds6

About 1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine

1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine (PubChem CID 104882841) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine
PubChem CID104882841
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine
SMILESCCC(CC)/N=C(/NN)NC(C)COC
InChIInChI=1S/C10H24N4O/c1-5-9(6-2)13-10(14-11)12-8(3)7-15-4/h8-9H,5-7,11H2,1-4H3,(H2,12,13,14)
InChIKeyVTNAGVXEZFQALR-UHFFFAOYSA-N
XLogP0.62
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.62
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine?
The IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine (CID 104882841) is 1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine?
The canonical SMILES for 1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine is CCC(CC)/N=C(/NN)NC(C)COC.
What is the InChIKey of 1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine?
The InChIKey is VTNAGVXEZFQALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-5-9(6-2)13-10(14-11)12-8(3)7-15-4/h8-9H,5-7,11H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine?
1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine has a molecular weight of 216.33 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methoxypropan-2-yl)-2-pentan-3-ylguanidine is sourced from PubChem (CID 104882841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).