8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine

C16H21N3 — CID 82572808

IUPAC8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine
SMILESCCN(CC)c1nccc2cccc(NC3CC3)c12
InChIInChI=1S/C16H21N3/c1-3-19(4-2)16-15-12(10-11-17-16)6-5-7-14(15)18-13-8-9-13/h5-7,10-11,13,18H,3-4,8-9H2,1-2H3
InChIKeyKJKGXNQEVUMXBK-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.66
Rot. Bonds5

About 8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine

8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine (PubChem CID 82572808) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine.

Molecular Properties

Compound Name8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine
PubChem CID82572808
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine
SMILESCCN(CC)c1nccc2cccc(NC3CC3)c12
InChIInChI=1S/C16H21N3/c1-3-19(4-2)16-15-12(10-11-17-16)6-5-7-14(15)18-13-8-9-13/h5-7,10-11,13,18H,3-4,8-9H2,1-2H3
InChIKeyKJKGXNQEVUMXBK-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine?
The IUPAC name of 8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine (CID 82572808) is 8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine.
What is the SMILES notation for 8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine?
The canonical SMILES for 8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine is CCN(CC)c1nccc2cccc(NC3CC3)c12.
What is the InChIKey of 8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine?
The InChIKey is KJKGXNQEVUMXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-19(4-2)16-15-12(10-11-17-16)6-5-7-14(15)18-13-8-9-13/h5-7,10-11,13,18H,3-4,8-9H2,1-2H3.
What are the key properties of 8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine?
8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine has a molecular weight of 255.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-cyclopropyl-1-N,1-N-diethylisoquinoline-1,8-diamine is sourced from PubChem (CID 82572808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).