1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine

C20H32N2 — CID 139373013

IUPAC1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine
SMILESCCCC1=CCC(C)(C(C)NC)C=C1C1=CC=CCN1CC
InChIInChI=1S/C20H32N2/c1-6-10-17-12-13-20(4,16(3)21-5)15-18(17)19-11-8-9-14-22(19)7-2/h8-9,11-12,15-16,21H,6-7,10,13-14H2,1-5H3
InChIKeyDADKYBHCSCQWDE-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.43
Rot. Bonds6

About 1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine

1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine (PubChem CID 139373013) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine
PubChem CID139373013
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine
SMILESCCCC1=CCC(C)(C(C)NC)C=C1C1=CC=CCN1CC
InChIInChI=1S/C20H32N2/c1-6-10-17-12-13-20(4,16(3)21-5)15-18(17)19-11-8-9-14-22(19)7-2/h8-9,11-12,15-16,21H,6-7,10,13-14H2,1-5H3
InChIKeyDADKYBHCSCQWDE-UHFFFAOYSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine?
The IUPAC name of 1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine (CID 139373013) is 1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine.
What is the SMILES notation for 1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine?
The canonical SMILES for 1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine is CCCC1=CCC(C)(C(C)NC)C=C1C1=CC=CCN1CC.
What is the InChIKey of 1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine?
The InChIKey is DADKYBHCSCQWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-6-10-17-12-13-20(4,16(3)21-5)15-18(17)19-11-8-9-14-22(19)7-2/h8-9,11-12,15-16,21H,6-7,10,13-14H2,1-5H3.
What are the key properties of 1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine?
1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine has a molecular weight of 300.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethyl-2H-pyridin-6-yl)-1-methyl-4-propylcyclohexa-2,4-dien-1-yl]-N-methylethanamine is sourced from PubChem (CID 139373013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).