N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide

C12H25N3O2 — CID 82943580

IUPACN'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide
SMILESCCCOCCCNCC1(CC(N)=NO)CC1
InChIInChI=1S/C12H25N3O2/c1-2-7-17-8-3-6-14-10-12(4-5-12)9-11(13)15-16/h14,16H,2-10H2,1H3,(H2,13,15)
InChIKeyONNZWXPZBNRTTD-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.31
Rot. Bonds10

About N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide (PubChem CID 82943580) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide
PubChem CID82943580
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide
SMILESCCCOCCCNCC1(CC(N)=NO)CC1
InChIInChI=1S/C12H25N3O2/c1-2-7-17-8-3-6-14-10-12(4-5-12)9-11(13)15-16/h14,16H,2-10H2,1H3,(H2,13,15)
InChIKeyONNZWXPZBNRTTD-UHFFFAOYSA-N
XLogP1.31
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

N'-hydroxy-2-[1-[(6-hydroxyhexylamino)methyl]cyclopropyl]ethanimidamide
CID 114009285
2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071440
2-[1-[(2-ethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104874038
N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide
CID 77070663
N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 104931979
N'-hydroxy-2-[1-[(prop-2-ynylamino)methyl]cyclopropyl]ethanimidamide
CID 77071719
N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide
CID 77071012
N'-hydroxy-2-[1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071263
N'-hydroxy-2-[1-[[(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071320
N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77070818
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine
CID 106457795
2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070622

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide (CID 82943580) is N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide is CCCOCCCNCC1(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide?
The InChIKey is ONNZWXPZBNRTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-7-17-8-3-6-14-10-12(4-5-12)9-11(13)15-16/h14,16H,2-10H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.31, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 82943580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).