2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

C12H25N3O2 — CID 77070614

IUPAC2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCCCOCCNCC1(CC(N)=NO)CC1
InChIInChI=1S/C12H25N3O2/c1-2-3-7-17-8-6-14-10-12(4-5-12)9-11(13)15-16/h14,16H,2-10H2,1H3,(H2,13,15)
InChIKeyXMGNLPCIUOWGND-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.31
Rot. Bonds10

About 2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77070614) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77070614
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCCCOCCNCC1(CC(N)=NO)CC1
InChIInChI=1S/C12H25N3O2/c1-2-3-7-17-8-6-14-10-12(4-5-12)9-11(13)15-16/h14,16H,2-10H2,1H3,(H2,13,15)
InChIKeyXMGNLPCIUOWGND-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77070614) is 2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is CCCCOCCNCC1(CC(N)=NO)CC1.
What is the InChIKey of 2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is XMGNLPCIUOWGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-3-7-17-8-6-14-10-12(4-5-12)9-11(13)15-16/h14,16H,2-10H2,1H3,(H2,13,15).
What are the key properties of 2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide 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 2-[1-[(2-butoxyethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77070614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).