2-amino-4-(dibutylamino)butanamide

C12H27N3O — CID 63027628

IUPAC2-amino-4-(dibutylamino)butanamide
SMILESCCCCN(CCCC)CCC(N)C(N)=O
InChIInChI=1S/C12H27N3O/c1-3-5-8-15(9-6-4-2)10-7-11(13)12(14)16/h11H,3-10,13H2,1-2H3,(H2,14,16)
InChIKeyAQPKEGVJPVKGFF-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.09
Rot. Bonds10

About 2-amino-4-(dibutylamino)butanamide

2-amino-4-(dibutylamino)butanamide (PubChem CID 63027628) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-amino-4-(dibutylamino)butanamide.

Molecular Properties

Compound Name2-amino-4-(dibutylamino)butanamide
PubChem CID63027628
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-amino-4-(dibutylamino)butanamide
SMILESCCCCN(CCCC)CCC(N)C(N)=O
InChIInChI=1S/C12H27N3O/c1-3-5-8-15(9-6-4-2)10-7-11(13)12(14)16/h11H,3-10,13H2,1-2H3,(H2,14,16)
InChIKeyAQPKEGVJPVKGFF-UHFFFAOYSA-N
XLogP1.09
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-4-(dibutylamino)butanoate
CID 63028607
2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide
CID 63055708
2-amino-4-[bis(2-methoxyethyl)amino]butanamide
CID 63053778
2-aminododecanamide;hydrochloride
CID 14881390
4-(dibutylamino)butanamide
CID 57071614
2-amino-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 63054468
2-amino-4-butylsulfanylbutanamide
CID 63034099
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dibutylbutan-1-amine;propanoic acid
CID 173098736
(Z)-2-aminooctadec-9-enamide
CID 56663673
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
N,N-dibutylbutan-1-amine;difluorophosphinic acid
CID 130422664

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dibutylamino)butanamide?
The IUPAC name of 2-amino-4-(dibutylamino)butanamide (CID 63027628) is 2-amino-4-(dibutylamino)butanamide.
What is the SMILES notation for 2-amino-4-(dibutylamino)butanamide?
The canonical SMILES for 2-amino-4-(dibutylamino)butanamide is CCCCN(CCCC)CCC(N)C(N)=O.
What is the InChIKey of 2-amino-4-(dibutylamino)butanamide?
The InChIKey is AQPKEGVJPVKGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-3-5-8-15(9-6-4-2)10-7-11(13)12(14)16/h11H,3-10,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-amino-4-(dibutylamino)butanamide?
2-amino-4-(dibutylamino)butanamide has a molecular weight of 229.37 g/mol, XLogP of 1.09, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dibutylamino)butanamide is sourced from PubChem (CID 63027628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).