2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C14H23N3O2 — CID 77070871

IUPAC2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCc1cc(C(C)NCC2(CC(N)=NO)CC2)c(C)o1
InChIInChI=1S/C14H23N3O2/c1-9-6-12(11(3)19-9)10(2)16-8-14(4-5-14)7-13(15)17-18/h6,10,16,18H,4-5,7-8H2,1-3H3,(H2,15,17)
InChIKeyLPNFSMSIDYLRMW-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.46
Rot. Bonds6

About 2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77070871) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77070871
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCc1cc(C(C)NCC2(CC(N)=NO)CC2)c(C)o1
InChIInChI=1S/C14H23N3O2/c1-9-6-12(11(3)19-9)10(2)16-8-14(4-5-14)7-13(15)17-18/h6,10,16,18H,4-5,7-8H2,1-3H3,(H2,15,17)
InChIKeyLPNFSMSIDYLRMW-UHFFFAOYSA-N
XLogP2.46
TPSA83.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.46
H-Bond Donors ≤ 53
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

3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide
CID 77031154
N'-hydroxy-2-[1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070820
N'-hydroxy-2-[1-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopropyl]ethanimidamide
CID 81355976
1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 107093854
N'-hydroxy-2-[1-[[[(1S)-1-phenylethyl]amino]methyl]cyclopropyl]ethanimidamide
CID 79009132
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270073
N'-hydroxy-2-[1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]cyclopropyl]ethanimidamide
CID 81408624
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071022
2-[1-[(but-3-yn-2-ylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104921685
N'-hydroxy-2-[1-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]cyclopropyl]ethanimidamide
CID 79250305
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide
CID 60864839

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77070871) is 2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is Cc1cc(C(C)NCC2(CC(N)=NO)CC2)c(C)o1.
What is the InChIKey of 2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is LPNFSMSIDYLRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-6-12(11(3)19-9)10(2)16-8-14(4-5-14)7-13(15)17-18/h6,10,16,18H,4-5,7-8H2,1-3H3,(H2,15,17).
What are the key properties of 2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 265.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77070871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).