6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol

C14H25NO5 — CID 173202318

IUPAC6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol
SMILESCN(CC1=CCCC=C1)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C14H25NO5/c1-15(7-10-5-3-2-4-6-10)8-11(17)13(19)14(20)12(18)9-16/h3,5-6,11-14,16-20H,2,4,7-9H2,1H3
InChIKeyHGEVFVRFYJAFBU-UHFFFAOYSA-N
MW287.36 g/mol
LogP-1.37
Rot. Bonds8

About 6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol

6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol (PubChem CID 173202318) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol
PubChem CID173202318
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol
SMILESCN(CC1=CCCC=C1)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C14H25NO5/c1-15(7-10-5-3-2-4-6-10)8-11(17)13(19)14(20)12(18)9-16/h3,5-6,11-14,16-20H,2,4,7-9H2,1H3
InChIKeyHGEVFVRFYJAFBU-UHFFFAOYSA-N
XLogP-1.37
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-1.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol?
The IUPAC name of 6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol (CID 173202318) is 6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol?
The canonical SMILES for 6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol is CN(CC1=CCCC=C1)CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol?
The InChIKey is HGEVFVRFYJAFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-15(7-10-5-3-2-4-6-10)8-11(17)13(19)14(20)12(18)9-16/h3,5-6,11-14,16-20H,2,4,7-9H2,1H3.
What are the key properties of 6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol?
6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol has a molecular weight of 287.36 g/mol, XLogP of -1.37, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexa-1,5-dien-1-ylmethyl(methyl)amino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 173202318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).