2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride

C17H24ClN5 — CID 71642304

IUPAC2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride
SMILESCN(CC1CCNC1)c1nc2ccccc2nc1NC1CC1.Cl
InChIInChI=1S/C17H23N5.ClH/c1-22(11-12-8-9-18-10-12)17-16(19-13-6-7-13)20-14-4-2-3-5-15(14)21-17;/h2-5,12-13,18H,6-11H2,1H3,(H,19,20);1H
InChIKeyTWGFWJSGKCZOFM-UHFFFAOYSA-N
MW333.87 g/mol
LogP2.67
Rot. Bonds5

About 2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride

2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride (PubChem CID 71642304) has the molecular formula C17H24ClN5 and a molecular weight of 333.87 g/mol. Its IUPAC name is 2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride
PubChem CID71642304
Molecular FormulaC17H24ClN5
Molecular Weight333.87 g/mol
Exact Mass333.17
IUPAC Name2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride
SMILESCN(CC1CCNC1)c1nc2ccccc2nc1NC1CC1.Cl
InChIInChI=1S/C17H23N5.ClH/c1-22(11-12-8-9-18-10-12)17-16(19-13-6-7-13)20-14-4-2-3-5-15(14)21-17;/h2-5,12-13,18H,6-11H2,1H3,(H,19,20);1H
InChIKeyTWGFWJSGKCZOFM-UHFFFAOYSA-N
XLogP2.67
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride with MolForge

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Related Compounds

N-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)quinoxalin-2-amine
CID 71636942
N-cyclopropyl-3-[[(3R)-pyrrolidin-3-yl]methoxy]quinoxalin-2-amine
CID 97178411
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 71642311
N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,2-benzothiazol-3-amine
CID 97164638
N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 97164630
2-N,3-N-dimethyl-3-N-[(3R)-pyrrolidin-3-yl]quinoxaline-2,3-diamine;hydrochloride
CID 71642500
N,3-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642284
N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71642448
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71642440
2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine
CID 71642505
6-bromo-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642240
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine
CID 71642441

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride?
The IUPAC name of 2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride (CID 71642304) is 2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride.
What is the SMILES notation for 2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride?
The canonical SMILES for 2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride is CN(CC1CCNC1)c1nc2ccccc2nc1NC1CC1.Cl.
What is the InChIKey of 2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride?
The InChIKey is TWGFWJSGKCZOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5.ClH/c1-22(11-12-8-9-18-10-12)17-16(19-13-6-7-13)20-14-4-2-3-5-15(14)21-17;/h2-5,12-13,18H,6-11H2,1H3,(H,19,20);1H.
What are the key properties of 2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride?
2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride has a molecular weight of 333.87 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-3-N-methyl-3-N-(pyrrolidin-3-ylmethyl)quinoxaline-2,3-diamine;hydrochloride is sourced from PubChem (CID 71642304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).