3,7,11-trimethyldodeca-2,6,10-trien-1-amine

C15H27N — CID 3080630

IUPAC3,7,11-trimethyldodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCN
InChIInChI=1S/C15H27N/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12,16H2,1-4H3
InChIKeyBDKQVCHNTAJNJR-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.36
Rot. Bonds7

About 3,7,11-trimethyldodeca-2,6,10-trien-1-amine

3,7,11-trimethyldodeca-2,6,10-trien-1-amine (PubChem CID 3080630) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-2,6,10-trien-1-amine
PubChem CID3080630
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name3,7,11-trimethyldodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCN
InChIInChI=1S/C15H27N/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12,16H2,1-4H3
InChIKeyBDKQVCHNTAJNJR-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.36
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 3,7,11-trimethyldodeca-2,6,10-trien-1-amine?
The IUPAC name of 3,7,11-trimethyldodeca-2,6,10-trien-1-amine (CID 3080630) is 3,7,11-trimethyldodeca-2,6,10-trien-1-amine.
What is the SMILES notation for 3,7,11-trimethyldodeca-2,6,10-trien-1-amine?
The canonical SMILES for 3,7,11-trimethyldodeca-2,6,10-trien-1-amine is CC(C)=CCCC(C)=CCCC(C)=CCN.
What is the InChIKey of 3,7,11-trimethyldodeca-2,6,10-trien-1-amine?
The InChIKey is BDKQVCHNTAJNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12,16H2,1-4H3.
What are the key properties of 3,7,11-trimethyldodeca-2,6,10-trien-1-amine?
3,7,11-trimethyldodeca-2,6,10-trien-1-amine has a molecular weight of 221.39 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 3080630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).