2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide

C10H23N3O — CID 63225487

IUPAC2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(C)C(C)CCN
InChIInChI=1S/C10H23N3O/c1-5-12-10(14)9(3)13(4)8(2)6-7-11/h8-9H,5-7,11H2,1-4H3,(H,12,14)
InChIKeyBXNRLPVYMWEHLP-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.18
Rot. Bonds6

About 2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide

2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide (PubChem CID 63225487) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide
PubChem CID63225487
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(C)C(C)CCN
InChIInChI=1S/C10H23N3O/c1-5-12-10(14)9(3)13(4)8(2)6-7-11/h8-9H,5-7,11H2,1-4H3,(H,12,14)
InChIKeyBXNRLPVYMWEHLP-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide (CID 63225487) is 2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide is CCNC(=O)C(C)N(C)C(C)CCN.
What is the InChIKey of 2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide?
The InChIKey is BXNRLPVYMWEHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-5-12-10(14)9(3)13(4)8(2)6-7-11/h8-9H,5-7,11H2,1-4H3,(H,12,14).
What are the key properties of 2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide?
2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide has a molecular weight of 201.31 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide is sourced from PubChem (CID 63225487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).