(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine

C15H24N4O — CID 137489392

IUPAC(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine
SMILESCOC[C@@H]1CN(c2ccc3c(n2)CC[C@H](N)C3)C[C@@H]1N
InChIInChI=1S/C15H24N4O/c1-20-9-11-7-19(8-13(11)17)15-5-2-10-6-12(16)3-4-14(10)18-15/h2,5,11-13H,3-4,6-9,16-17H2,1H3/t11-,12-,13-/m0/s1
InChIKeyUVYPLLFZPZFSBF-AVGNSLFASA-N
MW276.38 g/mol
LogP0.31
Rot. Bonds3

About (6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine

(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine (PubChem CID 137489392) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine.

Molecular Properties

Compound Name(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine
PubChem CID137489392
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine
SMILESCOC[C@@H]1CN(c2ccc3c(n2)CC[C@H](N)C3)C[C@@H]1N
InChIInChI=1S/C15H24N4O/c1-20-9-11-7-19(8-13(11)17)15-5-2-10-6-12(16)3-4-14(10)18-15/h2,5,11-13H,3-4,6-9,16-17H2,1H3/t11-,12-,13-/m0/s1
InChIKeyUVYPLLFZPZFSBF-AVGNSLFASA-N
XLogP0.31
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine?
The IUPAC name of (6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine (CID 137489392) is (6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine.
What is the SMILES notation for (6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine?
The canonical SMILES for (6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine is COC[C@@H]1CN(c2ccc3c(n2)CC[C@H](N)C3)C[C@@H]1N.
What is the InChIKey of (6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine?
The InChIKey is UVYPLLFZPZFSBF-AVGNSLFASA-N. The full InChI is InChI=1S/C15H24N4O/c1-20-9-11-7-19(8-13(11)17)15-5-2-10-6-12(16)3-4-14(10)18-15/h2,5,11-13H,3-4,6-9,16-17H2,1H3/t11-,12-,13-/m0/s1.
What are the key properties of (6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine?
(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine has a molecular weight of 276.38 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine is sourced from PubChem (CID 137489392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).