5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine

C21H34N2O2 — CID 166930870

IUPAC5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine
SMILESCC1=C(C2=CCN(C3CCOCC3)CC2)C=C(OC(C)C)C(N)C1C
InChIInChI=1S/C21H34N2O2/c1-14(2)25-20-13-19(15(3)16(4)21(20)22)17-5-9-23(10-6-17)18-7-11-24-12-8-18/h5,13-14,16,18,21H,6-12,22H2,1-4H3
InChIKeyRCCMZSBENNTIJN-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.40
Rot. Bonds4

About 5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine

5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine (PubChem CID 166930870) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine
PubChem CID166930870
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine
SMILESCC1=C(C2=CCN(C3CCOCC3)CC2)C=C(OC(C)C)C(N)C1C
InChIInChI=1S/C21H34N2O2/c1-14(2)25-20-13-19(15(3)16(4)21(20)22)17-5-9-23(10-6-17)18-7-11-24-12-8-18/h5,13-14,16,18,21H,6-12,22H2,1-4H3
InChIKeyRCCMZSBENNTIJN-UHFFFAOYSA-N
XLogP3.40
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

5,6-Dimethyl-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine
CID 166930817

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine (CID 166930870) is 5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine is CC1=C(C2=CCN(C3CCOCC3)CC2)C=C(OC(C)C)C(N)C1C.
What is the InChIKey of 5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine?
The InChIKey is RCCMZSBENNTIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-14(2)25-20-13-19(15(3)16(4)21(20)22)17-5-9-23(10-6-17)18-7-11-24-12-8-18/h5,13-14,16,18,21H,6-12,22H2,1-4H3.
What are the key properties of 5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine?
5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine has a molecular weight of 346.52 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-[1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-2-propan-2-yloxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 166930870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).