N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide

C8H19N3O2 — CID 77035792

IUPACN'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide
SMILESCCCC(COC)NCC(N)=NO
InChIInChI=1S/C8H19N3O2/c1-3-4-7(6-13-2)10-5-8(9)11-12/h7,10,12H,3-6H2,1-2H3,(H2,9,11)
InChIKeyXIVUDMXDTHOIDW-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.14
Rot. Bonds7

About N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide

N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide (PubChem CID 77035792) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide
PubChem CID77035792
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC NameN'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide
SMILESCCCC(COC)NCC(N)=NO
InChIInChI=1S/C8H19N3O2/c1-3-4-7(6-13-2)10-5-8(9)11-12/h7,10,12H,3-6H2,1-2H3,(H2,9,11)
InChIKeyXIVUDMXDTHOIDW-UHFFFAOYSA-N
XLogP0.14
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.14
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

N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine
CID 106437796
2-(1-methoxyhexan-2-ylamino)-N-methylacetamide
CID 115706822
2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide
CID 77032312
3-(1-methoxypentan-2-ylamino)propane-1,2-diol
CID 77035883
N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide
CID 106189726
1-methoxy-N-(4-methoxybutyl)pentan-2-amine
CID 104647445
N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
CID 77030890
2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 62118570
5-[(1-methoxypentan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79613876
butyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
CID 106159517
ethyl N-(1-methoxypentan-2-yl)carbamate
CID 64590516
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
CID 106452067

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide (CID 77035792) is N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide is CCCC(COC)NCC(N)=NO.
What is the InChIKey of N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide?
The InChIKey is XIVUDMXDTHOIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-3-4-7(6-13-2)10-5-8(9)11-12/h7,10,12H,3-6H2,1-2H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide?
N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide has a molecular weight of 189.26 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide is sourced from PubChem (CID 77035792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).