2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide

C8H17N3O — CID 115612389

IUPAC2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide
SMILESC/C(N)=N\CC(=O)NCC(C)C
InChIInChI=1S/C8H17N3O/c1-6(2)4-11-8(12)5-10-7(3)9/h6H,4-5H2,1-3H3,(H2,9,10)(H,11,12)
InChIKeyTWRHMJYHRSVEPB-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.14
Rot. Bonds4

About 2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide

2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide (PubChem CID 115612389) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide
PubChem CID115612389
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide
SMILESC/C(N)=N\CC(=O)NCC(C)C
InChIInChI=1S/C8H17N3O/c1-6(2)4-11-8(12)5-10-7(3)9/h6H,4-5H2,1-3H3,(H2,9,10)(H,11,12)
InChIKeyTWRHMJYHRSVEPB-UHFFFAOYSA-N
XLogP0.14
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide
CID 62364363
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-prop-2-ynylacetamide;hydroiodide
CID 111093384
2-[[hydrazinyl(propylamino)methylidene]amino]-N-(2-methylpropyl)acetamide
CID 104888447
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089284
1-(diaminomethylidene)-3-(2-methylpropyl)urea
CID 18722015
ethane;N-(2-methylpropyl)acetamide
CID 142232237
2-methylpropan-1-amine;N-(2-methylpropyl)acetamide
CID 161466003
2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
CID 43372222
2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646370
N-(2-methylpropyl)-2-[1-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025352
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide (CID 115612389) is 2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide is C/C(N)=N\CC(=O)NCC(C)C.
What is the InChIKey of 2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide?
The InChIKey is TWRHMJYHRSVEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(2)4-11-8(12)5-10-7(3)9/h6H,4-5H2,1-3H3,(H2,9,10)(H,11,12).
What are the key properties of 2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide?
2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide has a molecular weight of 171.24 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 115612389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).