4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide

C12H27N3O — CID 66428428

IUPAC4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)CC(CN)N(CC)C(C)CC
InChIInChI=1S/C12H27N3O/c1-5-10(4)15(7-3)11(9-13)8-12(16)14-6-2/h10-11H,5-9,13H2,1-4H3,(H,14,16)
InChIKeyCBBORHOQXFHDDC-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds8

About 4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide

4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide (PubChem CID 66428428) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide
PubChem CID66428428
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)CC(CN)N(CC)C(C)CC
InChIInChI=1S/C12H27N3O/c1-5-10(4)15(7-3)11(9-13)8-12(16)14-6-2/h10-11H,5-9,13H2,1-4H3,(H,14,16)
InChIKeyCBBORHOQXFHDDC-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide
CID 66426959
4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide
CID 66432611
4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide
CID 66431882
4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide
CID 103188233
4-amino-N-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 112658549
4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
CID 66428258
4-amino-3-[3-(diethylamino)propyl-ethylamino]-N-ethylbutanamide
CID 102992088
4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432111
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-ethylbutanamide
CID 107397676
4-amino-N-tert-butyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]butanamide
CID 103188107
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103
2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide
CID 63571581

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide?
The IUPAC name of 4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide (CID 66428428) is 4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide.
What is the SMILES notation for 4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide?
The canonical SMILES for 4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide is CCNC(=O)CC(CN)N(CC)C(C)CC.
What is the InChIKey of 4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide?
The InChIKey is CBBORHOQXFHDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-10(4)15(7-3)11(9-13)8-12(16)14-6-2/h10-11H,5-9,13H2,1-4H3,(H,14,16).
What are the key properties of 4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide?
4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide has a molecular weight of 229.37 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide is sourced from PubChem (CID 66428428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).