3,4-dimethyltricos-2-en-2-amine

C25H51N — CID 173387056

IUPAC3,4-dimethyltricos-2-en-2-amine
SMILESCCCCCCCCCCCCCCCCCCCC(C)C(C)=C(C)N
InChIInChI=1S/C25H51N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24(3)25(4)26/h23H,5-22,26H2,1-4H3
InChIKeyAYYPDWDSRJTZQL-UHFFFAOYSA-N
MW365.69 g/mol
LogP8.92
Rot. Bonds19

About 3,4-dimethyltricos-2-en-2-amine

3,4-dimethyltricos-2-en-2-amine (PubChem CID 173387056) has the molecular formula C25H51N and a molecular weight of 365.69 g/mol. Its IUPAC name is 3,4-dimethyltricos-2-en-2-amine.

Molecular Properties

Compound Name3,4-dimethyltricos-2-en-2-amine
PubChem CID173387056
Molecular FormulaC25H51N
Molecular Weight365.69 g/mol
Exact Mass365.40
IUPAC Name3,4-dimethyltricos-2-en-2-amine
SMILESCCCCCCCCCCCCCCCCCCCC(C)C(C)=C(C)N
InChIInChI=1S/C25H51N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24(3)25(4)26/h23H,5-22,26H2,1-4H3
InChIKeyAYYPDWDSRJTZQL-UHFFFAOYSA-N
XLogP8.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.69
LogP ≤ 58.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyltricos-2-en-2-amine?
The IUPAC name of 3,4-dimethyltricos-2-en-2-amine (CID 173387056) is 3,4-dimethyltricos-2-en-2-amine.
What is the SMILES notation for 3,4-dimethyltricos-2-en-2-amine?
The canonical SMILES for 3,4-dimethyltricos-2-en-2-amine is CCCCCCCCCCCCCCCCCCCC(C)C(C)=C(C)N.
What is the InChIKey of 3,4-dimethyltricos-2-en-2-amine?
The InChIKey is AYYPDWDSRJTZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24(3)25(4)26/h23H,5-22,26H2,1-4H3.
What are the key properties of 3,4-dimethyltricos-2-en-2-amine?
3,4-dimethyltricos-2-en-2-amine has a molecular weight of 365.69 g/mol, XLogP of 8.92, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyltricos-2-en-2-amine is sourced from PubChem (CID 173387056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).