6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol

C18H37NO5 — CID 134577589

IUPAC6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol
SMILESC/C=C\CCCCCCCCN(C)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C18H37NO5/c1-3-4-5-6-7-8-9-10-11-12-19(2)13-15(21)17(23)18(24)16(22)14-20/h3-4,15-18,20-24H,5-14H2,1-2H3/b4-3-
InChIKeyVQVKQWLLESXUIB-ARJAWSKDSA-N
MW347.50 g/mol
LogP0.66
Rot. Bonds15

About 6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol

6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol (PubChem CID 134577589) has the molecular formula C18H37NO5 and a molecular weight of 347.50 g/mol. Its IUPAC name is 6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol
PubChem CID134577589
Molecular FormulaC18H37NO5
Molecular Weight347.50 g/mol
Exact Mass347.27
IUPAC Name6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol
SMILESC/C=C\CCCCCCCCN(C)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C18H37NO5/c1-3-4-5-6-7-8-9-10-11-12-19(2)13-15(21)17(23)18(24)16(22)14-20/h3-4,15-18,20-24H,5-14H2,1-2H3/b4-3-
InChIKeyVQVKQWLLESXUIB-ARJAWSKDSA-N
XLogP0.66
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 50.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol?
The IUPAC name of 6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol (CID 134577589) is 6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol?
The canonical SMILES for 6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol is C/C=C\CCCCCCCCN(C)CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol?
The InChIKey is VQVKQWLLESXUIB-ARJAWSKDSA-N. The full InChI is InChI=1S/C18H37NO5/c1-3-4-5-6-7-8-9-10-11-12-19(2)13-15(21)17(23)18(24)16(22)14-20/h3-4,15-18,20-24H,5-14H2,1-2H3/b4-3-.
What are the key properties of 6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol?
6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol has a molecular weight of 347.50 g/mol, XLogP of 0.66, 15 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(Z)-undec-9-enyl]amino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 134577589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).