2,5,5-trimethylocta-3,7-dien-2-amine

C11H21N — CID 91514894

IUPAC2,5,5-trimethylocta-3,7-dien-2-amine
SMILESC=CCC(C)(C)C=CC(C)(C)N
InChIInChI=1S/C11H21N/c1-6-7-10(2,3)8-9-11(4,5)12/h6,8-9H,1,7,12H2,2-5H3
InChIKeyUVUBGKZFJJGIPU-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.88
Rot. Bonds4

About 2,5,5-trimethylocta-3,7-dien-2-amine

2,5,5-trimethylocta-3,7-dien-2-amine (PubChem CID 91514894) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2,5,5-trimethylocta-3,7-dien-2-amine.

Molecular Properties

Compound Name2,5,5-trimethylocta-3,7-dien-2-amine
PubChem CID91514894
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2,5,5-trimethylocta-3,7-dien-2-amine
SMILESC=CCC(C)(C)C=CC(C)(C)N
InChIInChI=1S/C11H21N/c1-6-7-10(2,3)8-9-11(4,5)12/h6,8-9H,1,7,12H2,2-5H3
InChIKeyUVUBGKZFJJGIPU-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethylocta-3,7-dien-2-amine?
The IUPAC name of 2,5,5-trimethylocta-3,7-dien-2-amine (CID 91514894) is 2,5,5-trimethylocta-3,7-dien-2-amine.
What is the SMILES notation for 2,5,5-trimethylocta-3,7-dien-2-amine?
The canonical SMILES for 2,5,5-trimethylocta-3,7-dien-2-amine is C=CCC(C)(C)C=CC(C)(C)N.
What is the InChIKey of 2,5,5-trimethylocta-3,7-dien-2-amine?
The InChIKey is UVUBGKZFJJGIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-6-7-10(2,3)8-9-11(4,5)12/h6,8-9H,1,7,12H2,2-5H3.
What are the key properties of 2,5,5-trimethylocta-3,7-dien-2-amine?
2,5,5-trimethylocta-3,7-dien-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethylocta-3,7-dien-2-amine is sourced from PubChem (CID 91514894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).