4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide

C14H32N4O — CID 103188233

IUPAC4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N(CC)C(C)CN(C)C
InChIInChI=1S/C14H32N4O/c1-6-8-16-14(19)9-13(10-15)18(7-2)12(3)11-17(4)5/h12-13H,6-11,15H2,1-5H3,(H,16,19)
InChIKeyUJTBXWRHCNLNSW-UHFFFAOYSA-N
MW272.44 g/mol
LogP0.50
Rot. Bonds10

About 4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide

4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide (PubChem CID 103188233) has the molecular formula C14H32N4O and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide
PubChem CID103188233
Molecular FormulaC14H32N4O
Molecular Weight272.44 g/mol
Exact Mass272.26
IUPAC Name4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N(CC)C(C)CN(C)C
InChIInChI=1S/C14H32N4O/c1-6-8-16-14(19)9-13(10-15)18(7-2)12(3)11-17(4)5/h12-13H,6-11,15H2,1-5H3,(H,16,19)
InChIKeyUJTBXWRHCNLNSW-UHFFFAOYSA-N
XLogP0.50
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
CID 10989432
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide
CID 11120667
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 11748635
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 9839352
Butyramide, N-(2-(diethylamino)ethyl)-
CID 44429
N-(2-(Dimethylamino)ethyl)butanamide
CID 198440
(S)-2,4-Diamino-N-pentyl-butyramide
CID 44403378
(2,4-Diamino-4-oxobutyl)-trimethylazanium
CID 13393128
2,4-Diamino-1-(piperazin-1-yl)butan-1-one
CID 44364252
Butanamide, N,N-bis(1-methylpropyl)-4-((1-oxobutyl)amino)-
CID 3067791
Butanamide, N-butyl-3-((1-oxobutyl)amino)-
CID 3067809
4-amino-N-[2-[4-aminobutanoyl-[2-(4-aminobutanoylamino)ethyl]amino]ethyl]butanamide
CID 15689720

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide?
The IUPAC name of 4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide (CID 103188233) is 4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide?
The canonical SMILES for 4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide is CCCNC(=O)CC(CN)N(CC)C(C)CN(C)C.
What is the InChIKey of 4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide?
The InChIKey is UJTBXWRHCNLNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O/c1-6-8-16-14(19)9-13(10-15)18(7-2)12(3)11-17(4)5/h12-13H,6-11,15H2,1-5H3,(H,16,19).
What are the key properties of 4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide?
4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide has a molecular weight of 272.44 g/mol, XLogP of 0.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-N-propylbutanamide is sourced from PubChem (CID 103188233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).