N-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide

C15H31N3O — CID 130372459

IUPACN-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(C)(C)CC/N=C(\C)N(C)C
InChIInChI=1S/C15H31N3O/c1-8-12(2)14(19)17-11-15(4,5)9-10-16-13(3)18(6)7/h12H,8-11H2,1-7H3,(H,17,19)/b16-13+
InChIKeyFEOLULNSCPUACH-DTQAZKPQSA-N
MW269.43 g/mol
LogP2.55
Rot. Bonds7

About N-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide

N-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide (PubChem CID 130372459) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide
PubChem CID130372459
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(C)(C)CC/N=C(\C)N(C)C
InChIInChI=1S/C15H31N3O/c1-8-12(2)14(19)17-11-15(4,5)9-10-16-13(3)18(6)7/h12H,8-11H2,1-7H3,(H,17,19)/b16-13+
InChIKeyFEOLULNSCPUACH-DTQAZKPQSA-N
XLogP2.55
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide?
The IUPAC name of N-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide (CID 130372459) is N-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide.
What is the SMILES notation for N-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide?
The canonical SMILES for N-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide is CCC(C)C(=O)NCC(C)(C)CC/N=C(\C)N(C)C.
What is the InChIKey of N-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide?
The InChIKey is FEOLULNSCPUACH-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H31N3O/c1-8-12(2)14(19)17-11-15(4,5)9-10-16-13(3)18(6)7/h12H,8-11H2,1-7H3,(H,17,19)/b16-13+.
What are the key properties of N-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide?
N-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide has a molecular weight of 269.43 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(dimethylamino)ethylideneamino]-2,2-dimethylbutyl]-2-methylbutanamide is sourced from PubChem (CID 130372459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).