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

C15H23N3O2 — CID 77071578

IUPACN'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
SMILESCOc1cccc(CN(C)CC2(CC(N)=NO)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-18(10-12-4-3-5-13(8-12)20-2)11-15(6-7-15)9-14(16)17-19/h3-5,8,19H,6-7,9-11H2,1-2H3,(H2,16,17)
InChIKeyZJZYMUQPCFQFSC-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.04
Rot. Bonds7

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

N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide (PubChem CID 77071578) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
PubChem CID77071578
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
SMILESCOc1cccc(CN(C)CC2(CC(N)=NO)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-18(10-12-4-3-5-13(8-12)20-2)11-15(6-7-15)9-14(16)17-19/h3-5,8,19H,6-7,9-11H2,1-2H3,(H2,16,17)
InChIKeyZJZYMUQPCFQFSC-UHFFFAOYSA-N
XLogP2.04
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.04
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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Related Compounds

N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 62392054
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746890
1-(3-methoxyphenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62270444
N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide
CID 77070744
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 62221334
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride
CID 57368856
N'-hydroxy-2-[(3-methoxyphenyl)methyl-propan-2-ylamino]ethanimidamide
CID 77044695
1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62269993
1-(3-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 55164971
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxolane-3-carbaldehyde
CID 62277796

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide (CID 77071578) is N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide is COc1cccc(CN(C)CC2(CC(N)=NO)CC2)c1.
What is the InChIKey of N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is ZJZYMUQPCFQFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(10-12-4-3-5-13(8-12)20-2)11-15(6-7-15)9-14(16)17-19/h3-5,8,19H,6-7,9-11H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 277.37 g/mol, XLogP of 2.04, 7 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-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).