2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine

C15H21N5 — CID 71642503

IUPAC2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine
SMILESCNc1nc2ccccc2nc1N(C)[C@H]1CCCNC1
InChIInChI=1S/C15H21N5/c1-16-14-15(20(2)11-6-5-9-17-10-11)19-13-8-4-3-7-12(13)18-14/h3-4,7-8,11,17H,5-6,9-10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyRXKVQZAVXNUHAS-NSHDSACASA-N
MW271.37 g/mol
LogP1.86
Rot. Bonds3

About 2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine

2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine (PubChem CID 71642503) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine
PubChem CID71642503
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine
SMILESCNc1nc2ccccc2nc1N(C)[C@H]1CCCNC1
InChIInChI=1S/C15H21N5/c1-16-14-15(20(2)11-6-5-9-17-10-11)19-13-8-4-3-7-12(13)18-14/h3-4,7-8,11,17H,5-6,9-10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyRXKVQZAVXNUHAS-NSHDSACASA-N
XLogP1.86
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine with MolForge

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Related Compounds

2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine
CID 71642505
2-N,3-N-dimethyl-3-N-[(3R)-pyrrolidin-3-yl]quinoxaline-2,3-diamine;hydrochloride
CID 71642500
2-N,3-N-dimethyl-3-N-piperidin-4-ylquinoxaline-2,3-diamine
CID 71642511
3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71643025
3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71643020
3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71639633
N,3-dimethyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 55205906
2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642523
N-methyl-N-piperidin-3-ylquinazolin-4-amine
CID 55249323
N-methyl-N-piperidin-3-ylquinolin-2-amine
CID 63642355
2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine
CID 97164708
2-N-methyl-3-N-[[(3S)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine
CID 97164709

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine (CID 71642503) is 2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine is CNc1nc2ccccc2nc1N(C)[C@H]1CCCNC1.
What is the InChIKey of 2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine?
The InChIKey is RXKVQZAVXNUHAS-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5/c1-16-14-15(20(2)11-6-5-9-17-10-11)19-13-8-4-3-7-12(13)18-14/h3-4,7-8,11,17H,5-6,9-10H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of 2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine?
2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine has a molecular weight of 271.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine is sourced from PubChem (CID 71642503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).