N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane

C17H26N2 — CID 170589200

IUPACN,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane
SMILESCC.CC(C)c1nccc2c(CN(C)C)cccc12
InChIInChI=1S/C15H20N2.C2H6/c1-11(2)15-14-7-5-6-12(10-17(3)4)13(14)8-9-16-15;1-2/h5-9,11H,10H2,1-4H3;1-2H3
InChIKeyTWKJVNYZOFDNNG-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.45
Rot. Bonds3

About N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane

N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane (PubChem CID 170589200) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane
PubChem CID170589200
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane
SMILESCC.CC(C)c1nccc2c(CN(C)C)cccc12
InChIInChI=1S/C15H20N2.C2H6/c1-11(2)15-14-7-5-6-12(10-17(3)4)13(14)8-9-16-15;1-2/h5-9,11H,10H2,1-4H3;1-2H3
InChIKeyTWKJVNYZOFDNNG-UHFFFAOYSA-N
XLogP4.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Triprolidine
CID 5282443
Brompheniramine
CID 6834
(+-)-Dimethindene
CID 21855
Dexchlorpheniramine
CID 33036
Quinoline
CID 7047
Pheniramine
CID 4761
6-Methylquinoline
CID 7059
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Dexbrompheniramine
CID 16960
Azatadine
CID 19861
Triprolidine Hydrochloride Anhydrous
CID 5702129

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane?
The IUPAC name of N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane (CID 170589200) is N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane.
What is the SMILES notation for N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane?
The canonical SMILES for N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane is CC.CC(C)c1nccc2c(CN(C)C)cccc12.
What is the InChIKey of N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane?
The InChIKey is TWKJVNYZOFDNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C2H6/c1-11(2)15-14-7-5-6-12(10-17(3)4)13(14)8-9-16-15;1-2/h5-9,11H,10H2,1-4H3;1-2H3.
What are the key properties of N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane?
N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane has a molecular weight of 258.41 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;ethane is sourced from PubChem (CID 170589200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).