N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide

C13H25N3O — CID 77071646

IUPACN'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
SMILESCC1CCCN(CC2(CC(N)=NO)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-11-3-2-7-16(8-4-11)10-13(5-6-13)9-12(14)15-17/h11,17H,2-10H2,1H3,(H2,14,15)
InChIKeyWRUKQOJKKLJKKK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.03
Rot. Bonds4

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

N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 77071646) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID77071646
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
SMILESCC1CCCN(CC2(CC(N)=NO)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-11-3-2-7-16(8-4-11)10-13(5-6-13)9-12(14)15-17/h11,17H,2-10H2,1H3,(H2,14,15)
InChIKeyWRUKQOJKKLJKKK-UHFFFAOYSA-N
XLogP2.03
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-[1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071584
2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanamine
CID 65479951
N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071619
N'-hydroxy-2-[1-[(3-propoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071383
N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide
CID 77071455
2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071581
[1-[(4-methylpiperidin-1-yl)methyl]cyclopropyl]methanol
CID 82111584
N'-hydroxy-2-[1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropyl]ethanimidamide
CID 66370671
1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 63625982
N'-hydroxy-2-[1-[[(4-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071817
1-[(1-fluorocyclopropyl)methyl]-4-methylazepane
CID 130667715
N'-hydroxy-2-[1-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]cyclopropyl]ethanimidamide
CID 113399250

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide (CID 77071646) is N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide is CC1CCCN(CC2(CC(N)=NO)CC2)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is WRUKQOJKKLJKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-3-2-7-16(8-4-11)10-13(5-6-13)9-12(14)15-17/h11,17H,2-10H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 239.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).