1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine

C10H23N3O — CID 62363107

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine
SMILESCCC/N=C(\N)NC(CO)CC(C)C
InChIInChI=1S/C10H23N3O/c1-4-5-12-10(11)13-9(7-14)6-8(2)3/h8-9,14H,4-7H2,1-3H3,(H3,11,12,13)
InChIKeyHGXBZZRIBWHYLB-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.71
Rot. Bonds6

About 1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine

1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine (PubChem CID 62363107) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine
PubChem CID62363107
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine
SMILESCCC/N=C(\N)NC(CO)CC(C)C
InChIInChI=1S/C10H23N3O/c1-4-5-12-10(11)13-9(7-14)6-8(2)3/h8-9,14H,4-7H2,1-3H3,(H3,11,12,13)
InChIKeyHGXBZZRIBWHYLB-UHFFFAOYSA-N
XLogP0.71
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine (CID 62363107) is 1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine is CCC/N=C(\N)NC(CO)CC(C)C.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine?
The InChIKey is HGXBZZRIBWHYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-4-5-12-10(11)13-9(7-14)6-8(2)3/h8-9,14H,4-7H2,1-3H3,(H3,11,12,13).
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine?
1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine has a molecular weight of 201.31 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-2-yl)-2-propylguanidine is sourced from PubChem (CID 62363107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).