(3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine

C13H20N4 — CID 99978361

IUPAC(3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine
SMILESC[C@H]1CCc2nnc(N3CC[C@@H](N)C3)cc2C1
InChIInChI=1S/C13H20N4/c1-9-2-3-12-10(6-9)7-13(16-15-12)17-5-4-11(14)8-17/h7,9,11H,2-6,8,14H2,1H3/t9-,11+/m0/s1
InChIKeyXNNZPBZAFMQZCC-GXSJLCMTSA-N
MW232.33 g/mol
LogP1.14
Rot. Bonds1

About (3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine

(3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine (PubChem CID 99978361) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is (3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine
PubChem CID99978361
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name(3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine
SMILESC[C@H]1CCc2nnc(N3CC[C@@H](N)C3)cc2C1
InChIInChI=1S/C13H20N4/c1-9-2-3-12-10(6-9)7-13(16-15-12)17-5-4-11(14)8-17/h7,9,11H,2-6,8,14H2,1H3/t9-,11+/m0/s1
InChIKeyXNNZPBZAFMQZCC-GXSJLCMTSA-N
XLogP1.14
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine (CID 99978361) is (3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine is C[C@H]1CCc2nnc(N3CC[C@@H](N)C3)cc2C1.
What is the InChIKey of (3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine?
The InChIKey is XNNZPBZAFMQZCC-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H20N4/c1-9-2-3-12-10(6-9)7-13(16-15-12)17-5-4-11(14)8-17/h7,9,11H,2-6,8,14H2,1H3/t9-,11+/m0/s1.
What are the key properties of (3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine?
(3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine has a molecular weight of 232.33 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine is sourced from PubChem (CID 99978361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).