2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide

C12H25N3O2 — CID 65229755

IUPAC2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide
SMILESCCC(CN)C(=O)NCCC(=O)N(CC)CC
InChIInChI=1S/C12H25N3O2/c1-4-10(9-13)12(17)14-8-7-11(16)15(5-2)6-3/h10H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyVZZWPEZSASNCDM-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.35
Rot. Bonds8

About 2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide

2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide (PubChem CID 65229755) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide
PubChem CID65229755
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide
SMILESCCC(CN)C(=O)NCCC(=O)N(CC)CC
InChIInChI=1S/C12H25N3O2/c1-4-10(9-13)12(17)14-8-7-11(16)15(5-2)6-3/h10H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyVZZWPEZSASNCDM-UHFFFAOYSA-N
XLogP0.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-(aminomethyl)butanoylamino]propanoate
CID 65228741
3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide
CID 62728135
2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide
CID 82110412
2-(aminomethyl)-N-(3-aminopropyl)butanamide
CID 65229428
ethyl 4-[2-(aminomethyl)butanoylamino]butanoate
CID 65228483
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
3-acetamido-N,N-diethylpropanamide;ethane
CID 143532923
N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide
CID 108573873
N,N-diethyl-3-(methylcarbamoylamino)propanamide
CID 115588408
2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide
CID 107842589
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide
CID 81311740
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
CID 104759858

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide (CID 65229755) is 2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide is CCC(CN)C(=O)NCCC(=O)N(CC)CC.
What is the InChIKey of 2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide?
The InChIKey is VZZWPEZSASNCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-10(9-13)12(17)14-8-7-11(16)15(5-2)6-3/h10H,4-9,13H2,1-3H3,(H,14,17).
What are the key properties of 2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide?
2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide has a molecular weight of 243.35 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide is sourced from PubChem (CID 65229755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).