12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine

C14H19N — CID 59975654

IUPAC12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine
SMILES[2H]/C=C/C(C)=CC=CC=CC=CC=CNC
InChIInChI=1S/C14H19N/c1-4-14(2)12-10-8-6-5-7-9-11-13-15-3/h4-13,15H,1H2,2-3H3/i1D/b4-1+,6-5?,9-7?,10-8?,13-11?,14-12?
InChIKeyXOTWKQWAAMPYRL-CVUIQBBMSA-N
MW202.32 g/mol
LogP3.52
Rot. Bonds6

About 12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine

12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine (PubChem CID 59975654) has the molecular formula C14H19N and a molecular weight of 202.32 g/mol. Its IUPAC name is 12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine.

Molecular Properties

Compound Name12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine
PubChem CID59975654
Molecular FormulaC14H19N
Molecular Weight202.32 g/mol
Exact Mass202.16
IUPAC Name12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine
SMILES[2H]/C=C/C(C)=CC=CC=CC=CC=CNC
InChIInChI=1S/C14H19N/c1-4-14(2)12-10-8-6-5-7-9-11-13-15-3/h4-13,15H,1H2,2-3H3/i1D/b4-1+,6-5?,9-7?,10-8?,13-11?,14-12?
InChIKeyXOTWKQWAAMPYRL-CVUIQBBMSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine?
The IUPAC name of 12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine (CID 59975654) is 12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine.
What is the SMILES notation for 12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine?
The canonical SMILES for 12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine is [2H]/C=C/C(C)=CC=CC=CC=CC=CNC.
What is the InChIKey of 12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine?
The InChIKey is XOTWKQWAAMPYRL-CVUIQBBMSA-N. The full InChI is InChI=1S/C14H19N/c1-4-14(2)12-10-8-6-5-7-9-11-13-15-3/h4-13,15H,1H2,2-3H3/i1D/b4-1+,6-5?,9-7?,10-8?,13-11?,14-12?.
What are the key properties of 12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine?
12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine has a molecular weight of 202.32 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-deuterio-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine is sourced from PubChem (CID 59975654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).