N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine

C15H19N3 — CID 62979742

IUPACN'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine
SMILESCN(CCNc1ccnc2ccccc12)C1CC1
InChIInChI=1S/C15H19N3/c1-18(12-6-7-12)11-10-17-15-8-9-16-14-5-3-2-4-13(14)15/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,16,17)
InChIKeyNBEMIRXHEONZHY-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.74
Rot. Bonds5

About N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine (PubChem CID 62979742) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine
PubChem CID62979742
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine
SMILESCN(CCNc1ccnc2ccccc12)C1CC1
InChIInChI=1S/C15H19N3/c1-18(12-6-7-12)11-10-17-15-8-9-16-14-5-3-2-4-13(14)15/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,16,17)
InChIKeyNBEMIRXHEONZHY-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine (CID 62979742) is N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine is CN(CCNc1ccnc2ccccc12)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine?
The InChIKey is NBEMIRXHEONZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18(12-6-7-12)11-10-17-15-8-9-16-14-5-3-2-4-13(14)15/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,16,17).
What are the key properties of N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine is sourced from PubChem (CID 62979742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).