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

C13H29N3O — CID 66432611

IUPAC4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide
SMILESCCC(C)N(CC)C(CN)CC(=O)NC(C)C
InChIInChI=1S/C13H29N3O/c1-6-11(5)16(7-2)12(9-14)8-13(17)15-10(3)4/h10-12H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyVCLIWMUCEURWCR-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.35
Rot. Bonds8

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

4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide (PubChem CID 66432611) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide
PubChem CID66432611
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide
SMILESCCC(C)N(CC)C(CN)CC(=O)NC(C)C
InChIInChI=1S/C13H29N3O/c1-6-11(5)16(7-2)12(9-14)8-13(17)15-10(3)4/h10-12H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyVCLIWMUCEURWCR-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide
CID 66428428
4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide
CID 66426959
4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide
CID 66431882
4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432111
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide
CID 66432620
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide
CID 66430981
4-amino-N-tert-butyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]butanamide
CID 103188107
4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide
CID 103188233
4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
CID 66428258
4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide
CID 66430169
3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975
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-propan-2-ylbutanamide?
The IUPAC name of 4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide (CID 66432611) is 4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide is CCC(C)N(CC)C(CN)CC(=O)NC(C)C.
What is the InChIKey of 4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide?
The InChIKey is VCLIWMUCEURWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-11(5)16(7-2)12(9-14)8-13(17)15-10(3)4/h10-12H,6-9,14H2,1-5H3,(H,15,17).
What are the key properties of 4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide?
4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide has a molecular weight of 243.39 g/mol, XLogP of 1.35, 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-propan-2-ylbutanamide is sourced from PubChem (CID 66432611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).