4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine

C18H29N3O — CID 67763041

IUPAC4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine
SMILESCCCCN1CCNC1=C1CC(C)=CC=C1N1CCOCC1
InChIInChI=1S/C18H29N3O/c1-3-4-8-21-9-7-19-18(21)16-14-15(2)5-6-17(16)20-10-12-22-13-11-20/h5-6,19H,3-4,7-14H2,1-2H3
InChIKeyPUBWNGRGYZHSEI-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.47
Rot. Bonds4

About 4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine

4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine (PubChem CID 67763041) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine
PubChem CID67763041
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine
SMILESCCCCN1CCNC1=C1CC(C)=CC=C1N1CCOCC1
InChIInChI=1S/C18H29N3O/c1-3-4-8-21-9-7-19-18(21)16-14-15(2)5-6-17(16)20-10-12-22-13-11-20/h5-6,19H,3-4,7-14H2,1-2H3
InChIKeyPUBWNGRGYZHSEI-UHFFFAOYSA-N
XLogP2.47
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine?
The IUPAC name of 4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine (CID 67763041) is 4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine.
What is the SMILES notation for 4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine?
The canonical SMILES for 4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine is CCCCN1CCNC1=C1CC(C)=CC=C1N1CCOCC1.
What is the InChIKey of 4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine?
The InChIKey is PUBWNGRGYZHSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-4-8-21-9-7-19-18(21)16-14-15(2)5-6-17(16)20-10-12-22-13-11-20/h5-6,19H,3-4,7-14H2,1-2H3.
What are the key properties of 4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine?
4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine has a molecular weight of 303.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-butylimidazolidin-2-ylidene)-4-methylcyclohexa-1,3-dien-1-yl]morpholine is sourced from PubChem (CID 67763041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).