N'-(1-aminopropylidene)-N-propan-2-yloxamide

C8H15N3O2 — CID 123636944

IUPACN'-(1-aminopropylidene)-N-propan-2-yloxamide
SMILESCC/C(N)=N\C(=O)C(=O)NC(C)C
InChIInChI=1S/C8H15N3O2/c1-4-6(9)11-8(13)7(12)10-5(2)3/h5H,4H2,1-3H3,(H,10,12)(H2,9,11,13)
InChIKeyRNBRWMUZUFQXPD-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.20
Rot. Bonds2

About N'-(1-aminopropylidene)-N-propan-2-yloxamide

N'-(1-aminopropylidene)-N-propan-2-yloxamide (PubChem CID 123636944) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N'-(1-aminopropylidene)-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-(1-aminopropylidene)-N-propan-2-yloxamide
PubChem CID123636944
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN'-(1-aminopropylidene)-N-propan-2-yloxamide
SMILESCC/C(N)=N\C(=O)C(=O)NC(C)C
InChIInChI=1S/C8H15N3O2/c1-4-6(9)11-8(13)7(12)10-5(2)3/h5H,4H2,1-3H3,(H,10,12)(H2,9,11,13)
InChIKeyRNBRWMUZUFQXPD-UHFFFAOYSA-N
XLogP-0.20
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-N-methylpropanamide
CID 10511338
N-[1-(1-methyl-4,5-dihydroimidazol-2-yl)ethyl]acetamide
CID 53718784
N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]propanamide
CID 53916049
2-(1-aminoethylideneamino)-N-propylacetamide
CID 63173609
2-(1-aminoethylideneamino)-N-propan-2-ylacetamide
CID 63173658
N-[2-(1-aminopropylideneamino)ethyl]acetamide
CID 63175662
2-(1-aminopropylideneamino)-N-propan-2-yl-2-sulfanylideneacetamide
CID 123229363
N'-(1-amino-2,2-dimethylpropylidene)-N-propan-2-yloxamide
CID 123259599
2,3-diamino-N-(2-amino-2-oxoethyl)-3-ethyliminopropanamide;hydrochloride
CID 141396645
5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide
CID 167062710
N-(1-amino-1-iminopropan-2-yl)acetamide
CID 172748430
(2Z)-2-Amino-N-(propan-2-yl)-2-[(propan-2-yl)imino]acetamide
CID 13205874

Frequently Asked Questions

What is the IUPAC name of N'-(1-aminopropylidene)-N-propan-2-yloxamide?
The IUPAC name of N'-(1-aminopropylidene)-N-propan-2-yloxamide (CID 123636944) is N'-(1-aminopropylidene)-N-propan-2-yloxamide.
What is the SMILES notation for N'-(1-aminopropylidene)-N-propan-2-yloxamide?
The canonical SMILES for N'-(1-aminopropylidene)-N-propan-2-yloxamide is CC/C(N)=N\C(=O)C(=O)NC(C)C.
What is the InChIKey of N'-(1-aminopropylidene)-N-propan-2-yloxamide?
The InChIKey is RNBRWMUZUFQXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-4-6(9)11-8(13)7(12)10-5(2)3/h5H,4H2,1-3H3,(H,10,12)(H2,9,11,13).
What are the key properties of N'-(1-aminopropylidene)-N-propan-2-yloxamide?
N'-(1-aminopropylidene)-N-propan-2-yloxamide has a molecular weight of 185.23 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-aminopropylidene)-N-propan-2-yloxamide is sourced from PubChem (CID 123636944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).