5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine

C11H18N2 — CID 89074156

IUPAC5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine
SMILESCC1CC(N)=CC=C1N1CCCC1
InChIInChI=1S/C11H18N2/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13/h4-5,9H,2-3,6-8,12H2,1H3
InChIKeySNMCOWUAEYDXPL-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.85
Rot. Bonds1

About 5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine

5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine (PubChem CID 89074156) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine
PubChem CID89074156
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine
SMILESCC1CC(N)=CC=C1N1CCCC1
InChIInChI=1S/C11H18N2/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13/h4-5,9H,2-3,6-8,12H2,1H3
InChIKeySNMCOWUAEYDXPL-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine (CID 89074156) is 5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine is CC1CC(N)=CC=C1N1CCCC1.
What is the InChIKey of 5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is SNMCOWUAEYDXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13/h4-5,9H,2-3,6-8,12H2,1H3.
What are the key properties of 5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine?
5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89074156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).