2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine

C12H21N — CID 10352268

IUPAC2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine
SMILESCCC1=C(CC)C(N(C)C)C(C)=C1
InChIInChI=1S/C12H21N/c1-6-10-8-9(3)12(13(4)5)11(10)7-2/h8,12H,6-7H2,1-5H3
InChIKeyBNIYMETYNKOFTJ-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.99
Rot. Bonds3

About 2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine

2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine (PubChem CID 10352268) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine.

Molecular Properties

Compound Name2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine
PubChem CID10352268
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine
SMILESCCC1=C(CC)C(N(C)C)C(C)=C1
InChIInChI=1S/C12H21N/c1-6-10-8-9(3)12(13(4)5)11(10)7-2/h8,12H,6-7H2,1-5H3
InChIKeyBNIYMETYNKOFTJ-UHFFFAOYSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine?
The IUPAC name of 2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine (CID 10352268) is 2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine.
What is the SMILES notation for 2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine?
The canonical SMILES for 2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine is CCC1=C(CC)C(N(C)C)C(C)=C1.
What is the InChIKey of 2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine?
The InChIKey is BNIYMETYNKOFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-6-10-8-9(3)12(13(4)5)11(10)7-2/h8,12H,6-7H2,1-5H3.
What are the key properties of 2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine?
2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine is sourced from PubChem (CID 10352268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).