3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine

C15H22ClN3 — CID 101179489

IUPAC3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine
SMILESCN(C)C(C#Cc1ccc(Cl)cc1)(N(C)C)N(C)C
InChIInChI=1S/C15H22ClN3/c1-17(2)15(18(3)4,19(5)6)12-11-13-7-9-14(16)10-8-13/h7-10H,1-6H3
InChIKeyIZCQVCIYNFDWNN-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.03
Rot. Bonds3

About 3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine

3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine (PubChem CID 101179489) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine
PubChem CID101179489
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine
SMILESCN(C)C(C#Cc1ccc(Cl)cc1)(N(C)C)N(C)C
InChIInChI=1S/C15H22ClN3/c1-17(2)15(18(3)4,19(5)6)12-11-13-7-9-14(16)10-8-13/h7-10H,1-6H3
InChIKeyIZCQVCIYNFDWNN-UHFFFAOYSA-N
XLogP2.03
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine?
The IUPAC name of 3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine (CID 101179489) is 3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine?
The canonical SMILES for 3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine is CN(C)C(C#Cc1ccc(Cl)cc1)(N(C)C)N(C)C.
What is the InChIKey of 3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine?
The InChIKey is IZCQVCIYNFDWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-17(2)15(18(3)4,19(5)6)12-11-13-7-9-14(16)10-8-13/h7-10H,1-6H3.
What are the key properties of 3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine?
3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine has a molecular weight of 279.81 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-N,1-N,1-N',1-N',1-N",1-N"-hexamethylprop-2-yne-1,1,1-triamine is sourced from PubChem (CID 101179489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).