1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine

C24H31N — CID 174460405

IUPAC1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=C(C2C=Cc3ccccc3C2C2CCCCC2)CC=C1
InChIInChI=1S/C24H31N/c1-25(2)17-20-12-8-14-21(20)23-16-15-18-9-6-7-13-22(18)24(23)19-10-4-3-5-11-19/h6-9,12-13,15-16,19,23-24H,3-5,10-11,14,17H2,1-2H3
InChIKeyJBJYHZQNUBFTCC-UHFFFAOYSA-N
MW333.52 g/mol
LogP5.81
Rot. Bonds4

About 1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine

1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine (PubChem CID 174460405) has the molecular formula C24H31N and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
PubChem CID174460405
Molecular FormulaC24H31N
Molecular Weight333.52 g/mol
Exact Mass333.25
IUPAC Name1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=C(C2C=Cc3ccccc3C2C2CCCCC2)CC=C1
InChIInChI=1S/C24H31N/c1-25(2)17-20-12-8-14-21(20)23-16-15-18-9-6-7-13-22(18)24(23)19-10-4-3-5-11-19/h6-9,12-13,15-16,19,23-24H,3-5,10-11,14,17H2,1-2H3
InChIKeyJBJYHZQNUBFTCC-UHFFFAOYSA-N
XLogP5.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine (CID 174460405) is 1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine is CN(C)CC1=C(C2C=Cc3ccccc3C2C2CCCCC2)CC=C1.
What is the InChIKey of 1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine?
The InChIKey is JBJYHZQNUBFTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N/c1-25(2)17-20-12-8-14-21(20)23-16-15-18-9-6-7-13-22(18)24(23)19-10-4-3-5-11-19/h6-9,12-13,15-16,19,23-24H,3-5,10-11,14,17H2,1-2H3.
What are the key properties of 1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine?
1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine has a molecular weight of 333.52 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclohexyl-1,2-dihydronaphthalen-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 174460405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).