N-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine

C15H23N3 — CID 3015272

IUPACN-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1=NCCc2ccccc21
InChIInChI=1S/C15H23N3/c1-3-18(4-2)12-11-17-15-14-8-6-5-7-13(14)9-10-16-15/h5-8H,3-4,9-12H2,1-2H3,(H,16,17)
InChIKeyWLDFBDNWPZFNJD-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.92
Rot. Bonds5

About N-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine

N-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 3015272) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID3015272
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC1=NCCc2ccccc21
InChIInChI=1S/C15H23N3/c1-3-18(4-2)12-11-17-15-14-8-6-5-7-13(14)9-10-16-15/h5-8H,3-4,9-12H2,1-2H3,(H,16,17)
InChIKeyWLDFBDNWPZFNJD-UHFFFAOYSA-N
XLogP1.92
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine (CID 3015272) is N-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC1=NCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is WLDFBDNWPZFNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-18(4-2)12-11-17-15-14-8-6-5-7-13(14)9-10-16-15/h5-8H,3-4,9-12H2,1-2H3,(H,16,17).
What are the key properties of N-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine?
N-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 245.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroisoquinolin-1-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 3015272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).