N,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine

C18H33N — CID 54557221

IUPACN,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine
SMILESCCC(C)=CCCC(C)CC=CC(C)=CCN(C)C
InChIInChI=1S/C18H33N/c1-7-16(2)10-8-11-17(3)12-9-13-18(4)14-15-19(5)6/h9-10,13-14,17H,7-8,11-12,15H2,1-6H3
InChIKeyZOAHZWLHMHEZPI-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.21
Rot. Bonds9

About N,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine

N,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine (PubChem CID 54557221) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine.

Molecular Properties

Compound NameN,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine
PubChem CID54557221
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine
SMILESCCC(C)=CCCC(C)CC=CC(C)=CCN(C)C
InChIInChI=1S/C18H33N/c1-7-16(2)10-8-11-17(3)12-9-13-18(4)14-15-19(5)6/h9-10,13-14,17H,7-8,11-12,15H2,1-6H3
InChIKeyZOAHZWLHMHEZPI-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine?
The IUPAC name of N,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine (CID 54557221) is N,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine.
What is the SMILES notation for N,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine?
The canonical SMILES for N,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine is CCC(C)=CCCC(C)CC=CC(C)=CCN(C)C.
What is the InChIKey of N,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine?
The InChIKey is ZOAHZWLHMHEZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-7-16(2)10-8-11-17(3)12-9-13-18(4)14-15-19(5)6/h9-10,13-14,17H,7-8,11-12,15H2,1-6H3.
What are the key properties of N,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine?
N,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine has a molecular weight of 263.47 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,7,11-pentamethyltrideca-2,4,10-trien-1-amine is sourced from PubChem (CID 54557221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).