N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide

C11H23N3O6 — CID 91190770

IUPACN-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide
SMILESCCCNC(=O)C(O)C(O)C(O)C(O)C(=O)NCCN
InChIInChI=1S/C11H23N3O6/c1-2-4-13-10(19)8(17)6(15)7(16)9(18)11(20)14-5-3-12/h6-9,15-18H,2-5,12H2,1H3,(H,13,19)(H,14,20)
InChIKeyUDOJQEPEQSLZSA-UHFFFAOYSA-N
MW293.32 g/mol
LogP-3.97
Rot. Bonds9

About N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide

N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide (PubChem CID 91190770) has the molecular formula C11H23N3O6 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide
PubChem CID91190770
Molecular FormulaC11H23N3O6
Molecular Weight293.32 g/mol
Exact Mass293.16
IUPAC NameN-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide
SMILESCCCNC(=O)C(O)C(O)C(O)C(O)C(=O)NCCN
InChIInChI=1S/C11H23N3O6/c1-2-4-13-10(19)8(17)6(15)7(16)9(18)11(20)14-5-3-12/h6-9,15-18H,2-5,12H2,1H3,(H,13,19)(H,14,20)
InChIKeyUDOJQEPEQSLZSA-UHFFFAOYSA-N
XLogP-3.97
TPSA165.14 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.32
LogP ≤ 5-3.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4S,5R)-N,N'-bis(2-aminoethyl)-2,3,4,5-tetrahydroxyhexanediamide
CID 59188977
(3S,4S)-6-(2-aminoethylamino)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 89221641
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
(2S,3R,4S,5R)-N-(11-aminoundecyl)-2,3,4,5-tetrahydroxy-N'-pentylhexanediamide
CID 157386575
methyl (2S,3S,4S,5R)-6-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 88953763
(2R,3S,4S,5S)-N-[2-(2-aminoethylamino)ethyl]-2,3,4,5,7-pentahydroxy-6-oxoheptanamide
CID 88892403
(2R,3S,4S,5S)-6-(4-aminobutylamino)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 10564681
N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 23193776
(2S,4S,5R)-N-(4-aminobutyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 89146863
methyl (2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-[5-[[(2R,3S,4R,5S)-6-(5-aminopentylamino)-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino]pentylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 158005955
N-(4-aminobutyl)-2,3,4,5,6,7,8-heptahydroxyoctanamide
CID 88861881
(2R,3S,4R,5R)-N-(5-aminopentyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 102510568

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide?
The IUPAC name of N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide (CID 91190770) is N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide.
What is the SMILES notation for N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide?
The canonical SMILES for N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide is CCCNC(=O)C(O)C(O)C(O)C(O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide?
The InChIKey is UDOJQEPEQSLZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O6/c1-2-4-13-10(19)8(17)6(15)7(16)9(18)11(20)14-5-3-12/h6-9,15-18H,2-5,12H2,1H3,(H,13,19)(H,14,20).
What are the key properties of N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide?
N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide has a molecular weight of 293.32 g/mol, XLogP of -3.97, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide is sourced from PubChem (CID 91190770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).