N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine

C20H35N — CID 164611765

IUPACN-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CNC1CCCC1
InChIInChI=1S/C20H35N/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-20-13-5-6-14-20/h9,11,15,20-21H,5-8,10,12-14,16H2,1-4H3/b18-11+,19-15+
InChIKeyVNIYLCPNHDYGBA-CFBAGHHKSA-N
MW289.51 g/mol
LogP5.94
Rot. Bonds9

About N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine

N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine (PubChem CID 164611765) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine
PubChem CID164611765
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CNC1CCCC1
InChIInChI=1S/C20H35N/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-20-13-5-6-14-20/h9,11,15,20-21H,5-8,10,12-14,16H2,1-4H3/b18-11+,19-15+
InChIKeyVNIYLCPNHDYGBA-CFBAGHHKSA-N
XLogP5.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.94
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 N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine?
The IUPAC name of N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine (CID 164611765) is N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine.
What is the SMILES notation for N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine?
The canonical SMILES for N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CNC1CCCC1.
What is the InChIKey of N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine?
The InChIKey is VNIYLCPNHDYGBA-CFBAGHHKSA-N. The full InChI is InChI=1S/C20H35N/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-20-13-5-6-14-20/h9,11,15,20-21H,5-8,10,12-14,16H2,1-4H3/b18-11+,19-15+.
What are the key properties of N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine?
N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine has a molecular weight of 289.51 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopentanamine is sourced from PubChem (CID 164611765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).