2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C11H23N3O2 — CID 104861779

IUPAC2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCN(CCCO)CC1(CC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-2-14(6-3-7-15)9-11(4-5-11)8-10(12)13-16/h15-16H,2-9H2,1H3,(H2,12,13)
InChIKeyXLYSDXGHGZDDBM-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.61
Rot. Bonds8

About 2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 104861779) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID104861779
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCN(CCCO)CC1(CC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-2-14(6-3-7-15)9-11(4-5-11)8-10(12)13-16/h15-16H,2-9H2,1H3,(H2,12,13)
InChIKeyXLYSDXGHGZDDBM-UHFFFAOYSA-N
XLogP0.61
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071785
2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071440
2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071343
2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide
CID 65498282
2-[1-[[butan-2-yl(methyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071512
N'-hydroxy-2-[1-[(6-hydroxyhexylamino)methyl]cyclopropyl]ethanimidamide
CID 114009285
N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994374
[1-[[2-(dimethylamino)ethyl-ethylamino]methyl]cyclopropyl]methanol
CID 167120213
2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071605
3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide
CID 104861865
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
N'-hydroxy-2-[1-[(1-hydroxypentan-3-ylamino)methyl]cyclopropyl]ethanimidamide
CID 104867238

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 104861779) is 2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is CCN(CCCO)CC1(CC(N)=NO)CC1.
What is the InChIKey of 2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is XLYSDXGHGZDDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-14(6-3-7-15)9-11(4-5-11)8-10(12)13-16/h15-16H,2-9H2,1H3,(H2,12,13).
What are the key properties of 2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 104861779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).