N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide

C10H23N5O2 — CID 114133586

IUPACN-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide
SMILESCCN(C)C(=O)C/N=C(\NN)NC(C)COC
InChIInChI=1S/C10H23N5O2/c1-5-15(3)9(16)6-12-10(14-11)13-8(2)7-17-4/h8H,5-7,11H2,1-4H3,(H2,12,13,14)
InChIKeyCXUBTZNECMKRDR-UHFFFAOYSA-N
MW245.33 g/mol
LogP-1.09
Rot. Bonds6

About N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide

N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide (PubChem CID 114133586) has the molecular formula C10H23N5O2 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide
PubChem CID114133586
Molecular FormulaC10H23N5O2
Molecular Weight245.33 g/mol
Exact Mass245.19
IUPAC NameN-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide
SMILESCCN(C)C(=O)C/N=C(\NN)NC(C)COC
InChIInChI=1S/C10H23N5O2/c1-5-15(3)9(16)6-12-10(14-11)13-8(2)7-17-4/h8H,5-7,11H2,1-4H3,(H2,12,13,14)
InChIKeyCXUBTZNECMKRDR-UHFFFAOYSA-N
XLogP-1.09
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882549
1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882891
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide
CID 104888345
N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide
CID 104883820
N-ethyl-2-(1-methoxypropan-2-ylamino)-N-methylacetamide
CID 43309563
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111237098
1-amino-3-(1-methoxypropan-2-yl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 104888393
1-amino-2-butyl-3-(4-methoxybutan-2-yl)guanidine
CID 104887008
2-[[(butan-2-ylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111491785
2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]-N-ethyl-N-methylpropanamide
CID 103114219
2-[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111500521

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide (CID 114133586) is N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide is CCN(C)C(=O)C/N=C(\NN)NC(C)COC.
What is the InChIKey of N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide?
The InChIKey is CXUBTZNECMKRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5O2/c1-5-15(3)9(16)6-12-10(14-11)13-8(2)7-17-4/h8H,5-7,11H2,1-4H3,(H2,12,13,14).
What are the key properties of N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide?
N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide has a molecular weight of 245.33 g/mol, XLogP of -1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide is sourced from PubChem (CID 114133586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).