N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide

C14H26N4O — CID 77071619

IUPACN'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CN2CCC(N3CCCC3)C2)CC1)=NO
InChIInChI=1S/C14H26N4O/c15-13(16-19)9-14(4-5-14)11-17-8-3-12(10-17)18-6-1-2-7-18/h12,19H,1-11H2,(H2,15,16)
InChIKeyJOMRYJYAWDQTHR-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.07
Rot. Bonds5

About N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 77071619) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID77071619
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CN2CCC(N3CCCC3)C2)CC1)=NO
InChIInChI=1S/C14H26N4O/c15-13(16-19)9-14(4-5-14)11-17-8-3-12(10-17)18-6-1-2-7-18/h12,19H,1-11H2,(H2,15,16)
InChIKeyJOMRYJYAWDQTHR-UHFFFAOYSA-N
XLogP1.07
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide (CID 77071619) is N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide is NC(CC1(CN2CCC(N3CCCC3)C2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is JOMRYJYAWDQTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c15-13(16-19)9-14(4-5-14)11-17-8-3-12(10-17)18-6-1-2-7-18/h12,19H,1-11H2,(H2,15,16).
What are the key properties of N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 266.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).