N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide

C11H23N3O — CID 148804257

IUPACN-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide
SMILESCCCC(=O)NC(/C(N)=N/C)C(C)(C)C
InChIInChI=1S/C11H23N3O/c1-6-7-8(15)14-9(10(12)13-5)11(2,3)4/h9H,6-7H2,1-5H3,(H2,12,13)(H,14,15)
InChIKeyOOQIJGIFAPMAKB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.30
Rot. Bonds4

About N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide

N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide (PubChem CID 148804257) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide
PubChem CID148804257
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide
SMILESCCCC(=O)NC(/C(N)=N/C)C(C)(C)C
InChIInChI=1S/C11H23N3O/c1-6-7-8(15)14-9(10(12)13-5)11(2,3)4/h9H,6-7H2,1-5H3,(H2,12,13)(H,14,15)
InChIKeyOOQIJGIFAPMAKB-UHFFFAOYSA-N
XLogP1.30
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.30
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

N-[2-[2-(2,2-dimethylpropyl)-4,5-dihydroimidazol-1-yl]ethyl]-2,2-dimethylpropanamide
CID 20778277
CID 60002811
CID 60002811
3-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylpropanamide
CID 117754019
N-[3-[(1-amino-3-methylbutylidene)amino]propyl]-2-methylbutanamide
CID 122598424
N-[2-(diaminomethylideneamino)ethyl]-3,3-dimethylbutanamide
CID 126603358
1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one
CID 129255673
N-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide
CID 130372459
N-[(2S)-1-amino-1-ethylimino-3-methylbutan-2-yl]-N,3-dimethylbutanamide
CID 134421183
N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]-3-methylbutanamide
CID 134570827
N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide
CID 138649246
1-(3-Amino-2,5,6,7-tetrahydro-1,4-diazepin-1-yl)-3,3-dimethylbutan-1-one
CID 141844235
N-[2-(1-aminoethylideneamino)ethyl]-2,2-dimethylpropanamide
CID 142901498

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide?
The IUPAC name of N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide (CID 148804257) is N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide.
What is the SMILES notation for N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide?
The canonical SMILES for N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide is CCCC(=O)NC(/C(N)=N/C)C(C)(C)C.
What is the InChIKey of N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide?
The InChIKey is OOQIJGIFAPMAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-6-7-8(15)14-9(10(12)13-5)11(2,3)4/h9H,6-7H2,1-5H3,(H2,12,13)(H,14,15).
What are the key properties of N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide?
N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide has a molecular weight of 213.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethyl-1-methyliminobutan-2-yl)butanamide is sourced from PubChem (CID 148804257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).