4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide

C12H27N3O — CID 63027471

IUPAC4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide
SMILESCCNC(CCN(CC)C(C)CC)C(N)=O
InChIInChI=1S/C12H27N3O/c1-5-10(4)15(7-3)9-8-11(12(13)16)14-6-2/h10-11,14H,5-9H2,1-4H3,(H2,13,16)
InChIKeyZQGJODPYZQTSHA-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds9

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

4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide (PubChem CID 63027471) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide.

Molecular Properties

Compound Name4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide
PubChem CID63027471
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide
SMILESCCNC(CCN(CC)C(C)CC)C(N)=O
InChIInChI=1S/C12H27N3O/c1-5-10(4)15(7-3)9-8-11(12(13)16)14-6-2/h10-11,14H,5-9H2,1-4H3,(H2,13,16)
InChIKeyZQGJODPYZQTSHA-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 55143166
2-(ethylamino)-4-[ethyl(methyl)amino]butanamide
CID 63029588
2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide
CID 79481579
2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide
CID 55144695
2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide
CID 63030006
methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate
CID 63054156
4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide
CID 63053272
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide
CID 103190946
4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid
CID 63053630
4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide
CID 63055540
4-[butyl(methyl)amino]-2-(ethylamino)butanamide
CID 63029682
2-(ethylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide
CID 63055682

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide?
The IUPAC name of 4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide (CID 63027471) is 4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide.
What is the SMILES notation for 4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide?
The canonical SMILES for 4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide is CCNC(CCN(CC)C(C)CC)C(N)=O.
What is the InChIKey of 4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide?
The InChIKey is ZQGJODPYZQTSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-10(4)15(7-3)9-8-11(12(13)16)14-6-2/h10-11,14H,5-9H2,1-4H3,(H2,13,16).
What are the key properties of 4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide?
4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide has a molecular weight of 229.37 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide is sourced from PubChem (CID 63027471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).