N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine

C17H32N2 — CID 46203792

IUPACN'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CNCCN
InChIInChI=1S/C17H32N2/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-13-19-14-12-18/h7,9,11,19H,5-6,8,10,12-14,18H2,1-4H3/b16-9+,17-11+
InChIKeyPOQNDHUZNJDBML-BTMZFSHUSA-N
MW264.46 g/mol
LogP3.95
Rot. Bonds10

About N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine

N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine (PubChem CID 46203792) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine
PubChem CID46203792
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CNCCN
InChIInChI=1S/C17H32N2/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-13-19-14-12-18/h7,9,11,19H,5-6,8,10,12-14,18H2,1-4H3/b16-9+,17-11+
InChIKeyPOQNDHUZNJDBML-BTMZFSHUSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine (CID 46203792) is N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CNCCN.
What is the InChIKey of N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine?
The InChIKey is POQNDHUZNJDBML-BTMZFSHUSA-N. The full InChI is InChI=1S/C17H32N2/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-13-19-14-12-18/h7,9,11,19H,5-6,8,10,12-14,18H2,1-4H3/b16-9+,17-11+.
What are the key properties of N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine?
N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine has a molecular weight of 264.46 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine is sourced from PubChem (CID 46203792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).