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

C25H36N2 — CID 123281943

IUPACN-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC1=CC(C)CC=C1N(CCC1CCCCN1C)C1Cc2ccccc2C1
InChIInChI=1S/C25H36N2/c1-19-11-12-25(20(2)16-19)27(15-13-23-10-6-7-14-26(23)3)24-17-21-8-4-5-9-22(21)18-24/h4-5,8-9,12,16,19,23-24H,6-7,10-11,13-15,17-18H2,1-3H3
InChIKeyVVUQSVJWVWVJDV-UHFFFAOYSA-N
MW364.58 g/mol
LogP5.20
Rot. Bonds5

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

N-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 123281943) has the molecular formula C25H36N2 and a molecular weight of 364.58 g/mol. Its IUPAC name is N-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID123281943
Molecular FormulaC25H36N2
Molecular Weight364.58 g/mol
Exact Mass364.29
IUPAC NameN-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC1=CC(C)CC=C1N(CCC1CCCCN1C)C1Cc2ccccc2C1
InChIInChI=1S/C25H36N2/c1-19-11-12-25(20(2)16-19)27(15-13-23-10-6-7-14-26(23)3)24-17-21-8-4-5-9-22(21)18-24/h4-5,8-9,12,16,19,23-24H,6-7,10-11,13-15,17-18H2,1-3H3
InChIKeyVVUQSVJWVWVJDV-UHFFFAOYSA-N
XLogP5.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 123281943) is N-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine is CC1=CC(C)CC=C1N(CCC1CCCCN1C)C1Cc2ccccc2C1.
What is the InChIKey of N-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is VVUQSVJWVWVJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2/c1-19-11-12-25(20(2)16-19)27(15-13-23-10-6-7-14-26(23)3)24-17-21-8-4-5-9-22(21)18-24/h4-5,8-9,12,16,19,23-24H,6-7,10-11,13-15,17-18H2,1-3H3.
What are the key properties of N-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine?
N-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 364.58 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylcyclohexa-1,5-dien-1-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 123281943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).