N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide

C12H26N2O — CID 103461491

IUPACN-(2,2-dimethylbutyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NCC(C)(C)CC
InChIInChI=1S/C12H26N2O/c1-6-12(4,5)9-14-11(15)8-10(3)13-7-2/h10,13H,6-9H2,1-5H3,(H,14,15)
InChIKeyMAJRONYBAIFVGQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.93
Rot. Bonds7

About N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide

N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide (PubChem CID 103461491) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-3-(ethylamino)butanamide
PubChem CID103461491
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(2,2-dimethylbutyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NCC(C)(C)CC
InChIInChI=1S/C12H26N2O/c1-6-12(4,5)9-14-11(15)8-10(3)13-7-2/h10,13H,6-9H2,1-5H3,(H,14,15)
InChIKeyMAJRONYBAIFVGQ-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-3-(ethylamino)butanamide
CID 62838899
3-[3-(ethylamino)butanoylamino]-N,2,2-trimethylpropanamide
CID 106276952
N-butyl-3-(ethylamino)butanamide
CID 62838234
3-(ethylamino)-N-(1-hydroxy-2-methylbutan-2-yl)butanamide
CID 64550140
3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide
CID 103461469
3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid
CID 62833119
3-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82724015
4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid
CID 81073006
(2S)-2-[3-(ethylamino)butanoylamino]-3,3-dimethylbutanoic acid
CID 55121546
3-(ethylamino)-N-(5-hydroxypentyl)butanamide
CID 107317725
3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide
CID 114168522
3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid
CID 65265611

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide?
The IUPAC name of N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide (CID 103461491) is N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)NCC(C)(C)CC.
What is the InChIKey of N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide?
The InChIKey is MAJRONYBAIFVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-12(4,5)9-14-11(15)8-10(3)13-7-2/h10,13H,6-9H2,1-5H3,(H,14,15).
What are the key properties of N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide?
N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide has a molecular weight of 214.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide is sourced from PubChem (CID 103461491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).