N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine

C12H20N2 — CID 22996622

IUPACN,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine
SMILESCC1=C(N2CCCC2)CC=C1N(C)C
InChIInChI=1S/C12H20N2/c1-10-11(13(2)3)6-7-12(10)14-8-4-5-9-14/h6H,4-5,7-9H2,1-3H3
InChIKeyBNKCOUZGTXYISI-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.21
Rot. Bonds2

About N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine

N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine (PubChem CID 22996622) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine
PubChem CID22996622
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine
SMILESCC1=C(N2CCCC2)CC=C1N(C)C
InChIInChI=1S/C12H20N2/c1-10-11(13(2)3)6-7-12(10)14-8-4-5-9-14/h6H,4-5,7-9H2,1-3H3
InChIKeyBNKCOUZGTXYISI-UHFFFAOYSA-N
XLogP2.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine?
The IUPAC name of N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine (CID 22996622) is N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine.
What is the SMILES notation for N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine?
The canonical SMILES for N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine is CC1=C(N2CCCC2)CC=C1N(C)C.
What is the InChIKey of N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine?
The InChIKey is BNKCOUZGTXYISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-11(13(2)3)6-7-12(10)14-8-4-5-9-14/h6H,4-5,7-9H2,1-3H3.
What are the key properties of N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine?
N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-amine is sourced from PubChem (CID 22996622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).