2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide

C11H23N3O — CID 65493759

IUPAC2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(CCC)CCO)CC1
InChIInChI=1S/C11H23N3O/c1-2-5-14(6-7-15)9-11(3-4-11)8-10(12)13/h15H,2-9H2,1H3,(H3,12,13)
InChIKeyURDMWKZKZVZMRD-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.80
Rot. Bonds8

About 2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide

2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 65493759) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID65493759
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(CCC)CCO)CC1
InChIInChI=1S/C11H23N3O/c1-2-5-14(6-7-15)9-11(3-4-11)8-10(12)13/h15H,2-9H2,1H3,(H3,12,13)
InChIKeyURDMWKZKZVZMRD-UHFFFAOYSA-N
XLogP0.80
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide (CID 65493759) is 2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN(CCC)CCO)CC1.
What is the InChIKey of 2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is URDMWKZKZVZMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-2-5-14(6-7-15)9-11(3-4-11)8-10(12)13/h15H,2-9H2,1H3,(H3,12,13).
What are the key properties of 2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide?
2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 213.32 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65493759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).