N,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine

C15H9N — CID 58704536

IUPACN,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine
SMILESCC#CC#CC#CC#CC#CC#CN(C)C
InChIInChI=1S/C15H9N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h1-3H3
InChIKeyHFUUUUCJKXEDBN-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.55
Rot. Bonds

About N,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine

N,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine (PubChem CID 58704536) has the molecular formula C15H9N and a molecular weight of 203.24 g/mol. Its IUPAC name is N,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine.

Molecular Properties

Compound NameN,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine
PubChem CID58704536
Molecular FormulaC15H9N
Molecular Weight203.24 g/mol
Exact Mass203.07
IUPAC NameN,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine
SMILESCC#CC#CC#CC#CC#CC#CN(C)C
InChIInChI=1S/C15H9N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h1-3H3
InChIKeyHFUUUUCJKXEDBN-UHFFFAOYSA-N
XLogP0.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine?
The IUPAC name of N,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine (CID 58704536) is N,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine.
What is the SMILES notation for N,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine?
The canonical SMILES for N,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine is CC#CC#CC#CC#CC#CC#CN(C)C.
What is the InChIKey of N,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine?
The InChIKey is HFUUUUCJKXEDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h1-3H3.
What are the key properties of N,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine?
N,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine has a molecular weight of 203.24 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyltrideca-1,3,5,7,9,11-hexayn-1-amine is sourced from PubChem (CID 58704536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).