N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide

C9H19N3O — CID 142901498

IUPACN-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide
SMILESC/C(N)=N\CCNC(=O)C(C)(C)C
InChIInChI=1S/C9H19N3O/c1-7(10)11-5-6-12-8(13)9(2,3)4/h5-6H2,1-4H3,(H2,10,11)(H,12,13)
InChIKeyONXQBAQEJFVQNZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds3

About N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide

N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide (PubChem CID 142901498) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide
PubChem CID142901498
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide
SMILESC/C(N)=N\CCNC(=O)C(C)(C)C
InChIInChI=1S/C9H19N3O/c1-7(10)11-5-6-12-8(13)9(2,3)4/h5-6H2,1-4H3,(H2,10,11)(H,12,13)
InChIKeyONXQBAQEJFVQNZ-UHFFFAOYSA-N
XLogP0.53
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2,2-dimethylpropyl)-4,5-dihydroimidazol-1-yl]ethyl]-2,2-dimethylpropanamide
CID 20778277
N-[2-(1-aminoethylideneamino)ethyl]acetamide
CID 23394281
N-[2-[(1-amino-2,2-dimethylpropylidene)amino]ethyl]acetamide
CID 58089968
CID 60002811
CID 60002811
2-(1-aminoethylideneamino)-N-propylacetamide
CID 63173609
N-[2-(1-aminopropylideneamino)ethyl]acetamide
CID 63175662
N-[2-(diaminomethylideneamino)ethyl]-2-methylpropanamide
CID 88930474
N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylpropanamide
CID 117670706
N-[2-(3-ethyl-2-propan-2-yl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]-2-methylpropanamide
CID 117780109
2-methyl-N-[2-(3-methyl-2-propan-2-yl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]propanamide
CID 117780393
N-[2-(2-ethyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]propanamide
CID 117780494
N-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide
CID 126493196

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide (CID 142901498) is N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide is C/C(N)=N\CCNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide?
The InChIKey is ONXQBAQEJFVQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(10)11-5-6-12-8(13)9(2,3)4/h5-6H2,1-4H3,(H2,10,11)(H,12,13).
What are the key properties of N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide?
N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide has a molecular weight of 185.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 142901498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).