1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine

C25H36N2O — CID 130356531

IUPAC1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine
SMILESC=c1cccc/c1=C/C1(CC)CC=C(OCC2CCCN(C)C2)C=C1CNC
InChIInChI=1S/C25H36N2O/c1-5-25(16-22-11-7-6-9-20(22)2)13-12-24(15-23(25)17-26-3)28-19-21-10-8-14-27(4)18-21/h6-7,9,11-12,15-16,21,26H,2,5,8,10,13-14,17-19H2,1,3-4H3/b22-16-
InChIKeyZSVDJVZBUBVDRA-JWGURIENSA-N
MW380.58 g/mol
LogP3.07
Rot. Bonds7

About 1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine

1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine (PubChem CID 130356531) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is 1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine
PubChem CID130356531
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine
SMILESC=c1cccc/c1=C/C1(CC)CC=C(OCC2CCCN(C)C2)C=C1CNC
InChIInChI=1S/C25H36N2O/c1-5-25(16-22-11-7-6-9-20(22)2)13-12-24(15-23(25)17-26-3)28-19-21-10-8-14-27(4)18-21/h6-7,9,11-12,15-16,21,26H,2,5,8,10,13-14,17-19H2,1,3-4H3/b22-16-
InChIKeyZSVDJVZBUBVDRA-JWGURIENSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine (CID 130356531) is 1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine is C=c1cccc/c1=C/C1(CC)CC=C(OCC2CCCN(C)C2)C=C1CNC.
What is the InChIKey of 1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
The InChIKey is ZSVDJVZBUBVDRA-JWGURIENSA-N. The full InChI is InChI=1S/C25H36N2O/c1-5-25(16-22-11-7-6-9-20(22)2)13-12-24(15-23(25)17-26-3)28-19-21-10-8-14-27(4)18-21/h6-7,9,11-12,15-16,21,26H,2,5,8,10,13-14,17-19H2,1,3-4H3/b22-16-.
What are the key properties of 1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine?
1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine has a molecular weight of 380.58 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine is sourced from PubChem (CID 130356531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).