4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol

C21H27NO3 — CID 42839319

IUPAC4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)c1ccc(CN(Cc2ccc(C)o2)C2CC2)o1
InChIInChI=1S/C21H27NO3/c1-4-12-21(23,13-5-2)20-11-10-19(25-20)15-22(17-7-8-17)14-18-9-6-16(3)24-18/h4-6,9-11,17,23H,1-2,7-8,12-15H2,3H3
InChIKeyLMUFNVFKRRGUPA-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.69
Rot. Bonds10

About 4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol

4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol (PubChem CID 42839319) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol
PubChem CID42839319
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)c1ccc(CN(Cc2ccc(C)o2)C2CC2)o1
InChIInChI=1S/C21H27NO3/c1-4-12-21(23,13-5-2)20-11-10-19(25-20)15-22(17-7-8-17)14-18-9-6-16(3)24-18/h4-6,9-11,17,23H,1-2,7-8,12-15H2,3H3
InChIKeyLMUFNVFKRRGUPA-UHFFFAOYSA-N
XLogP4.69
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol with MolForge

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Related Compounds

5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017554
2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol
CID 42839343
2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol
CID 102680065
4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol
CID 24714559
2-bromo-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 114328211
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 61059064
N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 51362686
[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(3-fluorophenyl)methanol
CID 46017671
3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 63665475
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855
2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine
CID 16676938
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 103929276

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol?
The IUPAC name of 4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol (CID 42839319) is 4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol?
The canonical SMILES for 4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)c1ccc(CN(Cc2ccc(C)o2)C2CC2)o1.
What is the InChIKey of 4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol?
The InChIKey is LMUFNVFKRRGUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-12-21(23,13-5-2)20-11-10-19(25-20)15-22(17-7-8-17)14-18-9-6-16(3)24-18/h4-6,9-11,17,23H,1-2,7-8,12-15H2,3H3.
What are the key properties of 4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol?
4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol has a molecular weight of 341.45 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol is sourced from PubChem (CID 42839319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).