4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide

C12H27N3O2 — CID 106841213

IUPAC4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide
SMILESCCN(CC)C(=O)CC(CN)NCCCCO
InChIInChI=1S/C12H27N3O2/c1-3-15(4-2)12(17)9-11(10-13)14-7-5-6-8-16/h11,14,16H,3-10,13H2,1-2H3
InChIKeyGGPHIDZMHWQSTA-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.07
Rot. Bonds10

About 4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide

4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide (PubChem CID 106841213) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide.

Molecular Properties

Compound Name4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide
PubChem CID106841213
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide
SMILESCCN(CC)C(=O)CC(CN)NCCCCO
InChIInChI=1S/C12H27N3O2/c1-3-15(4-2)12(17)9-11(10-13)14-7-5-6-8-16/h11,14,16H,3-10,13H2,1-2H3
InChIKeyGGPHIDZMHWQSTA-UHFFFAOYSA-N
XLogP-0.07
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide
CID 66432916
4-[(1-amino-4,4-dimethylpentan-2-yl)amino]butan-1-ol
CID 106841291
4-amino-3-(3-hydroxypropylamino)-1-pyrrolidin-1-ylbutan-1-one
CID 66429879
5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol
CID 107316964
2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide
CID 103390839
3-(6-hydroxyhexylamino)-N,N-dimethylbutanamide
CID 115906805
3-(aminomethyl)-N,N-diethyl-5-methylhexanamide
CID 25143769
4-amino-N-methyl-3-(propylamino)butanamide
CID 66427140
ethyl 6-[(4-hydroxy-1-methoxybutan-2-yl)amino]hexanoate
CID 106159795
4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide
CID 107619662
4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide
CID 66430169
4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide
CID 66431882

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide?
The IUPAC name of 4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide (CID 106841213) is 4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide.
What is the SMILES notation for 4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide?
The canonical SMILES for 4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide is CCN(CC)C(=O)CC(CN)NCCCCO.
What is the InChIKey of 4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide?
The InChIKey is GGPHIDZMHWQSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-3-15(4-2)12(17)9-11(10-13)14-7-5-6-8-16/h11,14,16H,3-10,13H2,1-2H3.
What are the key properties of 4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide?
4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide has a molecular weight of 245.37 g/mol, XLogP of -0.07, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide is sourced from PubChem (CID 106841213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).