N-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine

C24H34N2 — CID 144575338

IUPACN-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC1=CCCC=C1N(CCC1CCN(C)CC1)C1Cc2ccccc2C1
InChIInChI=1S/C24H34N2/c1-19-7-3-6-10-24(19)26(16-13-20-11-14-25(2)15-12-20)23-17-21-8-4-5-9-22(21)18-23/h4-5,7-10,20,23H,3,6,11-18H2,1-2H3
InChIKeyHVAJFZHDECFZEH-UHFFFAOYSA-N
MW350.55 g/mol
LogP4.81
Rot. Bonds5

About N-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine

N-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 144575338) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is N-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID144575338
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC NameN-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC1=CCCC=C1N(CCC1CCN(C)CC1)C1Cc2ccccc2C1
InChIInChI=1S/C24H34N2/c1-19-7-3-6-10-24(19)26(16-13-20-11-14-25(2)15-12-20)23-17-21-8-4-5-9-22(21)18-23/h4-5,7-10,20,23H,3,6,11-18H2,1-2H3
InChIKeyHVAJFZHDECFZEH-UHFFFAOYSA-N
XLogP4.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 144575338) is N-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine is CC1=CCCC=C1N(CCC1CCN(C)CC1)C1Cc2ccccc2C1.
What is the InChIKey of N-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is HVAJFZHDECFZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2/c1-19-7-3-6-10-24(19)26(16-13-20-11-14-25(2)15-12-20)23-17-21-8-4-5-9-22(21)18-23/h4-5,7-10,20,23H,3,6,11-18H2,1-2H3.
What are the key properties of N-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
N-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 350.55 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 144575338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).