2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C10H21N3O3 — CID 77071427

IUPAC2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CN(CCO)CCO)CC1)=NO
InChIInChI=1S/C10H21N3O3/c11-9(12-16)7-10(1-2-10)8-13(3-5-14)4-6-15/h14-16H,1-8H2,(H2,11,12)
InChIKeyYZDWMANWVYLCPR-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.81
Rot. Bonds8

About 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071427) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071427
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CN(CCO)CCO)CC1)=NO
InChIInChI=1S/C10H21N3O3/c11-9(12-16)7-10(1-2-10)8-13(3-5-14)4-6-15/h14-16H,1-8H2,(H2,11,12)
InChIKeyYZDWMANWVYLCPR-UHFFFAOYSA-N
XLogP-0.81
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071427) is 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is NC(CC1(CN(CCO)CCO)CC1)=NO.
What is the InChIKey of 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is YZDWMANWVYLCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c11-9(12-16)7-10(1-2-10)8-13(3-5-14)4-6-15/h14-16H,1-8H2,(H2,11,12).
What are the key properties of 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 231.30 g/mol, XLogP of -0.81, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[bis(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).