N,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine

C15H17N — CID 3311064

IUPACN,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine
SMILESCN(C)C(C)(C)C#CC#Cc1ccccc1
InChIInChI=1S/C15H17N/c1-15(2,16(3)4)13-9-8-12-14-10-6-5-7-11-14/h5-7,10-11H,1-4H3
InChIKeyROHKEOWBTVERNT-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.38
Rot. Bonds1

About N,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine

N,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine (PubChem CID 3311064) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is N,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine
PubChem CID3311064
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC NameN,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine
SMILESCN(C)C(C)(C)C#CC#Cc1ccccc1
InChIInChI=1S/C15H17N/c1-15(2,16(3)4)13-9-8-12-14-10-6-5-7-11-14/h5-7,10-11H,1-4H3
InChIKeyROHKEOWBTVERNT-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine?
The IUPAC name of N,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine (CID 3311064) is N,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine.
What is the SMILES notation for N,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine?
The canonical SMILES for N,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine is CN(C)C(C)(C)C#CC#Cc1ccccc1.
What is the InChIKey of N,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine?
The InChIKey is ROHKEOWBTVERNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-15(2,16(3)4)13-9-8-12-14-10-6-5-7-11-14/h5-7,10-11H,1-4H3.
What are the key properties of N,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine?
N,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-phenylhexa-3,5-diyn-2-amine is sourced from PubChem (CID 3311064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).