6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide

C16H34N4 — CID 106712168

IUPAC6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(C)CC1CCCN1CC
InChIInChI=1S/C16H34N4/c1-5-20-12-8-9-14(20)13-19(4)11-7-6-10-16(2,3)15(17)18/h14H,5-13H2,1-4H3,(H3,17,18)
InChIKeyNXGZSCOGJUZOEG-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.53
Rot. Bonds9

About 6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide

6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide (PubChem CID 106712168) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide
PubChem CID106712168
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(C)CC1CCCN1CC
InChIInChI=1S/C16H34N4/c1-5-20-12-8-9-14(20)13-19(4)11-7-6-10-16(2,3)15(17)18/h14H,5-13H2,1-4H3,(H3,17,18)
InChIKeyNXGZSCOGJUZOEG-UHFFFAOYSA-N
XLogP2.53
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 79315658
2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol
CID 79317992
2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol
CID 79312282
2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide
CID 106712008
9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine
CID 105343821
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpentan-1-amine
CID 79318514
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanenitrile
CID 115277934
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370782
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65259018
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol
CID 79312291
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide (CID 106712168) is 6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN(C)CC1CCCN1CC.
What is the InChIKey of 6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide?
The InChIKey is NXGZSCOGJUZOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-5-20-12-8-9-14(20)13-19(4)11-7-6-10-16(2,3)15(17)18/h14H,5-13H2,1-4H3,(H3,17,18).
What are the key properties of 6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide?
6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide has a molecular weight of 282.48 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).