3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol

C12H24N2O3 — CID 57058663

IUPAC3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol
SMILESC=CCC(N)C(O)COCC(O)C(N)CC=C
InChIInChI=1S/C12H24N2O3/c1-3-5-9(13)11(15)7-17-8-12(16)10(14)6-4-2/h3-4,9-12,15-16H,1-2,5-8,13-14H2
InChIKeyUEXYGRZDFKVCTE-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.47
Rot. Bonds10

About 3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol

3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol (PubChem CID 57058663) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol.

Molecular Properties

Compound Name3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol
PubChem CID57058663
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol
SMILESC=CCC(N)C(O)COCC(O)C(N)CC=C
InChIInChI=1S/C12H24N2O3/c1-3-5-9(13)11(15)7-17-8-12(16)10(14)6-4-2/h3-4,9-12,15-16H,1-2,5-8,13-14H2
InChIKeyUEXYGRZDFKVCTE-UHFFFAOYSA-N
XLogP-0.47
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
(2R)-1,1-dimethoxypent-4-en-2-ol
CID 102353171
methyl 2-aminopent-4-enoate
CID 10877146
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
6-(2,3-dihydroxy-4-oxohex-5-enoxy)-4,5-dihydroxyhex-1-en-3-one
CID 174301593
ethane;methyl (2S)-2-aminopent-4-enoate
CID 143525314
butane;diethyl 2-prop-2-enylpropanedioate
CID 129080422
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 172513845
1-fluoro-1-iodopent-4-en-2-amine;hydrochloride
CID 88770159
1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol
CID 87864573
1-hydrazinyl-3-prop-2-enoxypropan-2-ol
CID 130123997

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol?
The IUPAC name of 3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol (CID 57058663) is 3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol.
What is the SMILES notation for 3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol?
The canonical SMILES for 3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol is C=CCC(N)C(O)COCC(O)C(N)CC=C.
What is the InChIKey of 3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol?
The InChIKey is UEXYGRZDFKVCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-5-9(13)11(15)7-17-8-12(16)10(14)6-4-2/h3-4,9-12,15-16H,1-2,5-8,13-14H2.
What are the key properties of 3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol?
3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol has a molecular weight of 244.33 g/mol, XLogP of -0.47, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol is sourced from PubChem (CID 57058663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).