2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide

C8H17N5O — CID 144617560

IUPAC2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide
SMILESCNC(=O)CN/N=C(\N)N1CCCC1
InChIInChI=1S/C8H17N5O/c1-10-7(14)6-11-12-8(9)13-4-2-3-5-13/h11H,2-6H2,1H3,(H2,9,12)(H,10,14)
InChIKeyRPLVQLHDHILAKS-UHFFFAOYSA-N
MW199.26 g/mol
LogP-1.35
Rot. Bonds3

About 2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide

2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide (PubChem CID 144617560) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide
PubChem CID144617560
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC Name2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide
SMILESCNC(=O)CN/N=C(\N)N1CCCC1
InChIInChI=1S/C8H17N5O/c1-10-7(14)6-11-12-8(9)13-4-2-3-5-13/h11H,2-6H2,1H3,(H2,9,12)(H,10,14)
InChIKeyRPLVQLHDHILAKS-UHFFFAOYSA-N
XLogP-1.35
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-methyl-2-(piperidin-1-ylamino)acetamide
CID 83013556
(E)-[amino(pyrrolidin-1-yl)methylidene]urea;ethane
CID 144947093
2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034623
N-methyl-3-pyrrolidin-1-ylpropanamide
CID 20700879
4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
CID 111048452
N'-methylazocane-1-carboximidamide
CID 62359325
N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111040316
N'-tert-butylazocane-1-carboximidamide
CID 62361042
(3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide
CID 163538785
(N-butyl-C-pyrrolidin-1-ylcarbonimidoyl)urea
CID 118455560
ethane;pyrrolidine-1-carboxamide
CID 144643607
2-(methylamino)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 60945403

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide?
The IUPAC name of 2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide (CID 144617560) is 2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide?
The canonical SMILES for 2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide is CNC(=O)CN/N=C(\N)N1CCCC1.
What is the InChIKey of 2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide?
The InChIKey is RPLVQLHDHILAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-10-7(14)6-11-12-8(9)13-4-2-3-5-13/h11H,2-6H2,1H3,(H2,9,12)(H,10,14).
What are the key properties of 2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide?
2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide has a molecular weight of 199.26 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[amino(pyrrolidin-1-yl)methylidene]hydrazinyl]-N-methylacetamide is sourced from PubChem (CID 144617560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).