2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine

C12H21N — CID 67592209

IUPAC2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine
SMILESCC1=C(C)C(C)C(C(C)(C)N)=C1C
InChIInChI=1S/C12H21N/c1-7-8(2)10(4)11(9(7)3)12(5,6)13/h9H,13H2,1-6H3
InChIKeyMGZGFUSNSRACFB-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.03
Rot. Bonds1

About 2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine

2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine (PubChem CID 67592209) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine.

Molecular Properties

Compound Name2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine
PubChem CID67592209
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine
SMILESCC1=C(C)C(C)C(C(C)(C)N)=C1C
InChIInChI=1S/C12H21N/c1-7-8(2)10(4)11(9(7)3)12(5,6)13/h9H,13H2,1-6H3
InChIKeyMGZGFUSNSRACFB-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine?
The IUPAC name of 2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine (CID 67592209) is 2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine.
What is the SMILES notation for 2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine?
The canonical SMILES for 2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine is CC1=C(C)C(C)C(C(C)(C)N)=C1C.
What is the InChIKey of 2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine?
The InChIKey is MGZGFUSNSRACFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-7-8(2)10(4)11(9(7)3)12(5,6)13/h9H,13H2,1-6H3.
What are the key properties of 2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine?
2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine has a molecular weight of 179.31 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine is sourced from PubChem (CID 67592209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).