N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine

C17H25N3 — CID 91769249

IUPACN,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine
SMILESCc1ccc2ncccc2c1CN(C)CCCN(C)C
InChIInChI=1S/C17H25N3/c1-14-8-9-17-15(7-5-10-18-17)16(14)13-20(4)12-6-11-19(2)3/h5,7-10H,6,11-13H2,1-4H3
InChIKeyGCVIOZNEDRBVMF-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.93
Rot. Bonds6

About N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine (PubChem CID 91769249) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine
PubChem CID91769249
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine
SMILESCc1ccc2ncccc2c1CN(C)CCCN(C)C
InChIInChI=1S/C17H25N3/c1-14-8-9-17-15(7-5-10-18-17)16(14)13-20(4)12-6-11-19(2)3/h5,7-10H,6,11-13H2,1-4H3
InChIKeyGCVIOZNEDRBVMF-UHFFFAOYSA-N
XLogP2.93
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine (CID 91769249) is N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine is Cc1ccc2ncccc2c1CN(C)CCCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine?
The InChIKey is GCVIOZNEDRBVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14-8-9-17-15(7-5-10-18-17)16(14)13-20(4)12-6-11-19(2)3/h5,7-10H,6,11-13H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine has a molecular weight of 271.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(6-methylquinolin-5-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 91769249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).