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

C12H27N3O — CID 63225439

IUPAC2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N(C)C(C)CCN
InChIInChI=1S/C12H27N3O/c1-5-6-9-14-12(16)11(3)15(4)10(2)7-8-13/h10-11H,5-9,13H2,1-4H3,(H,14,16)
InChIKeySDZCBKXTHPJFQR-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds8

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

2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide (PubChem CID 63225439) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide.

Molecular Properties

Compound Name2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide
PubChem CID63225439
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N(C)C(C)CCN
InChIInChI=1S/C12H27N3O/c1-5-6-9-14-12(16)11(3)15(4)10(2)7-8-13/h10-11H,5-9,13H2,1-4H3,(H,14,16)
InChIKeySDZCBKXTHPJFQR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide
CID 63225487
2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide
CID 63225297
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
1-(2-aminoethyl)-3-butylurea;oxalic acid
CID 22754877
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779
2-(2-aminoethylsulfanyl)-N-butylpropanamide
CID 43117401
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide
CID 107494579
2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-N-propylpropanamide
CID 63224149
2,4-diamino-N-[3-(dimethylamino)butyl]butanamide
CID 91339588

Frequently Asked Questions

What is the IUPAC name of 2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide?
The IUPAC name of 2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide (CID 63225439) is 2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide.
What is the SMILES notation for 2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide?
The canonical SMILES for 2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide is CCCCNC(=O)C(C)N(C)C(C)CCN.
What is the InChIKey of 2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide?
The InChIKey is SDZCBKXTHPJFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-6-9-14-12(16)11(3)15(4)10(2)7-8-13/h10-11H,5-9,13H2,1-4H3,(H,14,16).
What are the key properties of 2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide?
2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide 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 2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide is sourced from PubChem (CID 63225439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).