2-[1-[[2-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide

C10H21N3O — CID 65493153

IUPAC2-[1-[[2-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(C)CC(C)O)CC1
InChIInChI=1S/C10H21N3O/c1-8(14)6-13(2)7-10(3-4-10)5-9(11)12/h8,14H,3-7H2,1-2H3,(H3,11,12)
InChIKeyIRHWURHWYSXDIH-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.41
Rot. Bonds6

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

2-[1-[[2-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 65493153) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[1-[[2-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[2-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID65493153
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[1-[[2-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(C)CC(C)O)CC1
InChIInChI=1S/C10H21N3O/c1-8(14)6-13(2)7-10(3-4-10)5-9(11)12/h8,14H,3-7H2,1-2H3,(H3,11,12)
InChIKeyIRHWURHWYSXDIH-UHFFFAOYSA-N
XLogP0.41
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.41
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-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[2-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide (CID 65493153) is 2-[1-[[2-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[2-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[2-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN(C)CC(C)O)CC1.
What is the InChIKey of 2-[1-[[2-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is IRHWURHWYSXDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(14)6-13(2)7-10(3-4-10)5-9(11)12/h8,14H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 2-[1-[[2-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide?
2-[1-[[2-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-hydroxypropyl(methyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65493153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).