N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide

C13H26N4O2 — CID 107223251

IUPACN'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CN2CCCN(CCO)CC2)CC1)=NO
InChIInChI=1S/C13H26N4O2/c14-12(15-19)10-13(2-3-13)11-17-5-1-4-16(6-7-17)8-9-18/h18-19H,1-11H2,(H2,14,15)
InChIKeyQZJGHQBEHXNDHR-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.10
Rot. Bonds6

About N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide (PubChem CID 107223251) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide
PubChem CID107223251
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CN2CCCN(CCO)CC2)CC1)=NO
InChIInChI=1S/C13H26N4O2/c14-12(15-19)10-13(2-3-13)11-17-5-1-4-16(6-7-17)8-9-18/h18-19H,1-11H2,(H2,14,15)
InChIKeyQZJGHQBEHXNDHR-UHFFFAOYSA-N
XLogP-0.10
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
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 N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide (CID 107223251) is N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide is NC(CC1(CN2CCCN(CCO)CC2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide?
The InChIKey is QZJGHQBEHXNDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c14-12(15-19)10-13(2-3-13)11-17-5-1-4-16(6-7-17)8-9-18/h18-19H,1-11H2,(H2,14,15).
What are the key properties of N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide has a molecular weight of 270.38 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 107223251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).