2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide

C13H29N3O — CID 79481579

IUPAC2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide
SMILESCCNC(CCN(CC)CC(C)CC)C(N)=O
InChIInChI=1S/C13H29N3O/c1-5-11(4)10-16(7-3)9-8-12(13(14)17)15-6-2/h11-12,15H,5-10H2,1-4H3,(H2,14,17)
InChIKeyFDQWOTFIARCJNF-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.21
Rot. Bonds10

About 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide

2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide (PubChem CID 79481579) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide.

Molecular Properties

Compound Name2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide
PubChem CID79481579
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide
SMILESCCNC(CCN(CC)CC(C)CC)C(N)=O
InChIInChI=1S/C13H29N3O/c1-5-11(4)10-16(7-3)9-8-12(13(14)17)15-6-2/h11-12,15H,5-10H2,1-4H3,(H2,14,17)
InChIKeyFDQWOTFIARCJNF-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate
CID 79482373
4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide
CID 63027471
2-(ethylamino)-4-[ethyl(methyl)amino]butanamide
CID 63029588
4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63028616
4-(diethylamino)-2-(propylamino)butanamide
CID 63028178
2-(ethylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 55143166
2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide
CID 63030006
1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79477138
4-[ethyl(2-methylbutyl)amino]butan-2-ol
CID 79482541
2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 55143527
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503
4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide
CID 63055540

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide?
The IUPAC name of 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide (CID 79481579) is 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide.
What is the SMILES notation for 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide?
The canonical SMILES for 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide is CCNC(CCN(CC)CC(C)CC)C(N)=O.
What is the InChIKey of 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide?
The InChIKey is FDQWOTFIARCJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-11(4)10-16(7-3)9-8-12(13(14)17)15-6-2/h11-12,15H,5-10H2,1-4H3,(H2,14,17).
What are the key properties of 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide?
2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide has a molecular weight of 243.39 g/mol, XLogP of 1.21, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide is sourced from PubChem (CID 79481579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).