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

C9H21N5O2 — CID 104883820

IUPACN-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide
SMILESCOCC(C)N/C(=N/CCNC(C)=O)NN
InChIInChI=1S/C9H21N5O2/c1-7(6-16-3)13-9(14-10)12-5-4-11-8(2)15/h7H,4-6,10H2,1-3H3,(H,11,15)(H2,12,13,14)
InChIKeyLLKJUGGFDZUEME-UHFFFAOYSA-N
MW231.30 g/mol
LogP-1.43
Rot. Bonds6

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

N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide (PubChem CID 104883820) has the molecular formula C9H21N5O2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide
PubChem CID104883820
Molecular FormulaC9H21N5O2
Molecular Weight231.30 g/mol
Exact Mass231.17
IUPAC NameN-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide
SMILESCOCC(C)N/C(=N/CCNC(C)=O)NN
InChIInChI=1S/C9H21N5O2/c1-7(6-16-3)13-9(14-10)12-5-4-11-8(2)15/h7H,4-6,10H2,1-3H3,(H,11,15)(H2,12,13,14)
InChIKeyLLKJUGGFDZUEME-UHFFFAOYSA-N
XLogP-1.43
TPSA100.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N-ethyl-3-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]propanamide
CID 104888345
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882891
1-amino-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882549
1-amino-3-(1-methoxypropan-2-yl)-2-(2-piperidin-1-ylethyl)guanidine
CID 104884764
1-amino-3-(1-methoxypropan-2-yl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 104888393
1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine
CID 104883090
N-ethyl-2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]-N-methylacetamide
CID 114133586
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(4-methylcyclohexyl)ethyl]guanidine
CID 104886649
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(oxolan-3-yl)ethyl]guanidine
CID 114130897
1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 104883471
1-amino-2-butyl-3-(4-methoxybutan-2-yl)guanidine
CID 104887008

Frequently Asked Questions

What is the IUPAC name of N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide (CID 104883820) is N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide is COCC(C)N/C(=N/CCNC(C)=O)NN.
What is the InChIKey of N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide?
The InChIKey is LLKJUGGFDZUEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O2/c1-7(6-16-3)13-9(14-10)12-5-4-11-8(2)15/h7H,4-6,10H2,1-3H3,(H,11,15)(H2,12,13,14).
What are the key properties of N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide?
N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide has a molecular weight of 231.30 g/mol, XLogP of -1.43, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[hydrazinyl-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]acetamide is sourced from PubChem (CID 104883820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).