3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride

C16H22ClN5 — CID 71644805

IUPAC3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride
SMILESCl.NCC1CCN(c2nc3ccccc3nc2NC2CC2)C1
InChIInChI=1S/C16H21N5.ClH/c17-9-11-7-8-21(10-11)16-15(18-12-5-6-12)19-13-3-1-2-4-14(13)20-16;/h1-4,11-12H,5-10,17H2,(H,18,19);1H
InChIKeyDFAKJCNFFOOIFZ-UHFFFAOYSA-N
MW319.84 g/mol
LogP2.41
Rot. Bonds4

About 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride

3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride (PubChem CID 71644805) has the molecular formula C16H22ClN5 and a molecular weight of 319.84 g/mol. Its IUPAC name is 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride
PubChem CID71644805
Molecular FormulaC16H22ClN5
Molecular Weight319.84 g/mol
Exact Mass319.16
IUPAC Name3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride
SMILESCl.NCC1CCN(c2nc3ccccc3nc2NC2CC2)C1
InChIInChI=1S/C16H21N5.ClH/c17-9-11-7-8-21(10-11)16-15(18-12-5-6-12)19-13-3-1-2-4-14(13)20-16;/h1-4,11-12H,5-10,17H2,(H,18,19);1H
InChIKeyDFAKJCNFFOOIFZ-UHFFFAOYSA-N
XLogP2.41
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride?
The IUPAC name of 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride (CID 71644805) is 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride.
What is the SMILES notation for 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride?
The canonical SMILES for 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride is Cl.NCC1CCN(c2nc3ccccc3nc2NC2CC2)C1.
What is the InChIKey of 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride?
The InChIKey is DFAKJCNFFOOIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5.ClH/c17-9-11-7-8-21(10-11)16-15(18-12-5-6-12)19-13-3-1-2-4-14(13)20-16;/h1-4,11-12H,5-10,17H2,(H,18,19);1H.
What are the key properties of 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride?
3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride has a molecular weight of 319.84 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropylquinoxalin-2-amine;hydrochloride is sourced from PubChem (CID 71644805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).