1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine

C17H23N — CID 130217410

IUPAC1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine
SMILESC/C=c1/cccc2c1=C(/C=N/C)C(CC)C2CC
InChIInChI=1S/C17H23N/c1-5-12-9-8-10-15-13(6-2)14(7-3)16(11-18-4)17(12)15/h5,8-11,13-14H,6-7H2,1-4H3/b12-5-,18-11+
InChIKeyFZMFLVYBZJOTMH-KEZNQCDLSA-N
MW241.38 g/mol
LogP2.87
Rot. Bonds3

About 1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine

1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine (PubChem CID 130217410) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine
PubChem CID130217410
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine
SMILESC/C=c1/cccc2c1=C(/C=N/C)C(CC)C2CC
InChIInChI=1S/C17H23N/c1-5-12-9-8-10-15-13(6-2)14(7-3)16(11-18-4)17(12)15/h5,8-11,13-14H,6-7H2,1-4H3/b12-5-,18-11+
InChIKeyFZMFLVYBZJOTMH-KEZNQCDLSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine
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Frequently Asked Questions

What is the IUPAC name of 1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine?
The IUPAC name of 1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine (CID 130217410) is 1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine.
What is the SMILES notation for 1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine?
The canonical SMILES for 1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine is C/C=c1/cccc2c1=C(/C=N/C)C(CC)C2CC.
What is the InChIKey of 1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine?
The InChIKey is FZMFLVYBZJOTMH-KEZNQCDLSA-N. The full InChI is InChI=1S/C17H23N/c1-5-12-9-8-10-15-13(6-2)14(7-3)16(11-18-4)17(12)15/h5,8-11,13-14H,6-7H2,1-4H3/b12-5-,18-11+.
What are the key properties of 1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine?
1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine has a molecular weight of 241.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7Z)-2,3-diethyl-7-ethylidene-2,3-dihydroinden-1-yl]-N-methylmethanimine is sourced from PubChem (CID 130217410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).