3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide

C11H23N3O — CID 178130175

IUPAC3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide
SMILESC/C(CC(=O)N(C)C)=N\CCCN(C)C
InChIInChI=1S/C11H23N3O/c1-10(9-11(15)14(4)5)12-7-6-8-13(2)3/h6-9H2,1-5H3/b12-10+
InChIKeyQTGTWASEUHRUKT-ZRDIBKRKSA-N
MW213.32 g/mol
LogP0.88
Rot. Bonds6

About 3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide

3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide (PubChem CID 178130175) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide
PubChem CID178130175
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide
SMILESC/C(CC(=O)N(C)C)=N\CCCN(C)C
InChIInChI=1S/C11H23N3O/c1-10(9-11(15)14(4)5)12-7-6-8-13(2)3/h6-9H2,1-5H3/b12-10+
InChIKeyQTGTWASEUHRUKT-ZRDIBKRKSA-N
XLogP0.88
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;propan-2-one
CID 158337348
N'-[3-(dimethylamino)propyl]-2-methylprop-2-enimidamide
CID 152658412
4-(3-aminopropylimino)pentan-2-one
CID 91484277
3-(dimethylamino)-N,N-dimethylpropanamide;hydrochloride
CID 146155865
3-butyliminobutanoate
CID 23175602
1-[3-(dimethylamino)propylimino]prop-1-en-2-amine
CID 176541610
N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine
CID 167613512
3-isothiocyanato-N,N-dimethylpropan-1-amine;hydrochloride
CID 17365655
[N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidoyl] 2-iodoacetate
CID 154935496
1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide
CID 110912093
ethyl N'-[3-(dimethylamino)propyl]-N-(4-methylbenzoyl)carbamimidate
CID 7256758
ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate
CID 135389538

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide?
The IUPAC name of 3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide (CID 178130175) is 3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide.
What is the SMILES notation for 3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide?
The canonical SMILES for 3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide is C/C(CC(=O)N(C)C)=N\CCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide?
The InChIKey is QTGTWASEUHRUKT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(9-11(15)14(4)5)12-7-6-8-13(2)3/h6-9H2,1-5H3/b12-10+.
What are the key properties of 3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide?
3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide has a molecular weight of 213.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide is sourced from PubChem (CID 178130175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).