N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine

C15H19N3 — CID 43599624

IUPACN-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine
SMILESc1ccc2nc(NCCCNC3CC3)ccc2c1
InChIInChI=1S/C15H19N3/c1-2-5-14-12(4-1)6-9-15(18-14)17-11-3-10-16-13-7-8-13/h1-2,4-6,9,13,16H,3,7-8,10-11H2,(H,17,18)
InChIKeyVUBCVUDCGASLJI-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.79
Rot. Bonds6

About N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine

N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine (PubChem CID 43599624) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine
PubChem CID43599624
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine
SMILESc1ccc2nc(NCCCNC3CC3)ccc2c1
InChIInChI=1S/C15H19N3/c1-2-5-14-12(4-1)6-9-15(18-14)17-11-3-10-16-13-7-8-13/h1-2,4-6,9,13,16H,3,7-8,10-11H2,(H,17,18)
InChIKeyVUBCVUDCGASLJI-UHFFFAOYSA-N
XLogP2.79
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine (CID 43599624) is N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine is c1ccc2nc(NCCCNC3CC3)ccc2c1.
What is the InChIKey of N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine?
The InChIKey is VUBCVUDCGASLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-5-14-12(4-1)6-9-15(18-14)17-11-3-10-16-13-7-8-13/h1-2,4-6,9,13,16H,3,7-8,10-11H2,(H,17,18).
What are the key properties of N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine?
N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-quinolin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 43599624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).