N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine

C16H19N3 — CID 79330116

IUPACN-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine
SMILESCCC(=Cc1cnc2ccccc2n1)CNC1CC1
InChIInChI=1S/C16H19N3/c1-2-12(10-17-13-7-8-13)9-14-11-18-15-5-3-4-6-16(15)19-14/h3-6,9,11,13,17H,2,7-8,10H2,1H3
InChIKeyDJKLGWVONQMWPY-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.18
Rot. Bonds5

About N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine

N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine (PubChem CID 79330116) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine
PubChem CID79330116
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine
SMILESCCC(=Cc1cnc2ccccc2n1)CNC1CC1
InChIInChI=1S/C16H19N3/c1-2-12(10-17-13-7-8-13)9-14-11-18-15-5-3-4-6-16(15)19-14/h3-6,9,11,13,17H,2,7-8,10H2,1H3
InChIKeyDJKLGWVONQMWPY-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine?
The IUPAC name of N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine (CID 79330116) is N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine is CCC(=Cc1cnc2ccccc2n1)CNC1CC1.
What is the InChIKey of N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine?
The InChIKey is DJKLGWVONQMWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-12(10-17-13-7-8-13)9-14-11-18-15-5-3-4-6-16(15)19-14/h3-6,9,11,13,17H,2,7-8,10H2,1H3.
What are the key properties of N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine?
N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine has a molecular weight of 253.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine is sourced from PubChem (CID 79330116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).