(5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine

C13H22N2 — CID 19755352

IUPAC(5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine
SMILESCC1C(CN)=CC=CC1(C)C1CCNC1
InChIInChI=1S/C13H22N2/c1-10-11(8-14)4-3-6-13(10,2)12-5-7-15-9-12/h3-4,6,10,12,15H,5,7-9,14H2,1-2H3
InChIKeyRCMAXMLBZMALBD-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.69
Rot. Bonds2

About (5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine

(5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine (PubChem CID 19755352) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine.

Molecular Properties

Compound Name(5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine
PubChem CID19755352
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine
SMILESCC1C(CN)=CC=CC1(C)C1CCNC1
InChIInChI=1S/C13H22N2/c1-10-11(8-14)4-3-6-13(10,2)12-5-7-15-9-12/h3-4,6,10,12,15H,5,7-9,14H2,1-2H3
InChIKeyRCMAXMLBZMALBD-UHFFFAOYSA-N
XLogP1.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine?
The IUPAC name of (5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine (CID 19755352) is (5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine.
What is the SMILES notation for (5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine?
The canonical SMILES for (5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine is CC1C(CN)=CC=CC1(C)C1CCNC1.
What is the InChIKey of (5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine?
The InChIKey is RCMAXMLBZMALBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-11(8-14)4-3-6-13(10,2)12-5-7-15-9-12/h3-4,6,10,12,15H,5,7-9,14H2,1-2H3.
What are the key properties of (5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine?
(5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine has a molecular weight of 206.33 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-5-pyrrolidin-3-ylcyclohexa-1,3-dien-1-yl)methanamine is sourced from PubChem (CID 19755352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).