2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine

C11H19N — CID 140984508

IUPAC2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine
SMILESCC1=CC(N)(C(C)C)C(C)=C1C
InChIInChI=1S/C11H19N/c1-7(2)11(12)6-8(3)9(4)10(11)5/h6-7H,12H2,1-5H3
InChIKeyJJHMNZDZIYASFM-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.64
Rot. Bonds1

About 2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine

2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine (PubChem CID 140984508) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine.

Molecular Properties

Compound Name2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine
PubChem CID140984508
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine
SMILESCC1=CC(N)(C(C)C)C(C)=C1C
InChIInChI=1S/C11H19N/c1-7(2)11(12)6-8(3)9(4)10(11)5/h6-7H,12H2,1-5H3
InChIKeyJJHMNZDZIYASFM-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine?
The IUPAC name of 2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine (CID 140984508) is 2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine.
What is the SMILES notation for 2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine?
The canonical SMILES for 2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine is CC1=CC(N)(C(C)C)C(C)=C1C.
What is the InChIKey of 2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine?
The InChIKey is JJHMNZDZIYASFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-7(2)11(12)6-8(3)9(4)10(11)5/h6-7H,12H2,1-5H3.
What are the key properties of 2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine?
2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-1-propan-2-ylcyclopenta-2,4-dien-1-amine is sourced from PubChem (CID 140984508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).