2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine

C11H18N2 — CID 67976422

IUPAC2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(N2CCCC2)=CCC1N
InChIInChI=1S/C11H18N2/c1-9-8-10(4-5-11(9)12)13-6-2-3-7-13/h4,8,11H,2-3,5-7,12H2,1H3
InChIKeyHRNKXNNMTNDCDR-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.64
Rot. Bonds1

About 2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine

2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine (PubChem CID 67976422) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine
PubChem CID67976422
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(N2CCCC2)=CCC1N
InChIInChI=1S/C11H18N2/c1-9-8-10(4-5-11(9)12)13-6-2-3-7-13/h4,8,11H,2-3,5-7,12H2,1H3
InChIKeyHRNKXNNMTNDCDR-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine (CID 67976422) is 2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine is CC1=CC(N2CCCC2)=CCC1N.
What is the InChIKey of 2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is HRNKXNNMTNDCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-8-10(4-5-11(9)12)13-6-2-3-7-13/h4,8,11H,2-3,5-7,12H2,1H3.
What are the key properties of 2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine?
2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrolidin-1-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67976422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).