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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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).