5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide

C15H25N3 — CID 65258136

IUPAC5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(C)c1ccc(C)cc1
InChIInChI=1S/C15H25N3/c1-12-6-8-13(9-7-12)18(4)11-5-10-15(2,3)14(16)17/h6-9H,5,10-11H2,1-4H3,(H3,16,17)
InChIKeyTWGXENSEBUSGKH-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.17
Rot. Bonds6

About 5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide

5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide (PubChem CID 65258136) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide
PubChem CID65258136
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(C)c1ccc(C)cc1
InChIInChI=1S/C15H25N3/c1-12-6-8-13(9-7-12)18(4)11-5-10-15(2,3)14(16)17/h6-9H,5,10-11H2,1-4H3,(H3,16,17)
InChIKeyTWGXENSEBUSGKH-UHFFFAOYSA-N
XLogP3.17
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063581
5-(N-butylanilino)-2,2-dimethylpentanimidamide
CID 65258340
5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol
CID 64791309
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
N-butyl-N,4-dimethylaniline;ethane
CID 176937760
5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide
CID 102993810
2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide
CID 65259252
5-(2-methoxy-4-methylphenoxy)-2,2-dimethylpentanimidamide
CID 65258595
6-(diethylamino)-2,2-dimethylhexanimidamide
CID 106711904
5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063542
5-(N,4-dimethylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64790514
4-(N-butylanilino)-2,2-dimethylbutanimidamide
CID 65252661

Frequently Asked Questions

What is the IUPAC name of 5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide (CID 65258136) is 5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(C)c1ccc(C)cc1.
What is the InChIKey of 5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide?
The InChIKey is TWGXENSEBUSGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-6-8-13(9-7-12)18(4)11-5-10-15(2,3)14(16)17/h6-9H,5,10-11H2,1-4H3,(H3,16,17).
What are the key properties of 5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide?
5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide has a molecular weight of 247.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N,4-dimethylanilino)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).