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

C10H21N3O2 — CID 65493968

IUPAC2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(CCO)CCO)CC1
InChIInChI=1S/C10H21N3O2/c11-9(12)7-10(1-2-10)8-13(3-5-14)4-6-15/h14-15H,1-8H2,(H3,11,12)
InChIKeyZCFDREGWLBQABY-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.62
Rot. Bonds8

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

2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 65493968) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID65493968
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(CCO)CCO)CC1
InChIInChI=1S/C10H21N3O2/c11-9(12)7-10(1-2-10)8-13(3-5-14)4-6-15/h14-15H,1-8H2,(H3,11,12)
InChIKeyZCFDREGWLBQABY-UHFFFAOYSA-N
XLogP-0.62
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide (CID 65493968) is 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN(CCO)CCO)CC1.
What is the InChIKey of 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is ZCFDREGWLBQABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-9(12)7-10(1-2-10)8-13(3-5-14)4-6-15/h14-15H,1-8H2,(H3,11,12).
What are the key properties of 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide?
2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 215.30 g/mol, XLogP of -0.62, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65493968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).