[1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol

C16H24N2O — CID 126581671

IUPAC[1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol
SMILESC[C@H]1CCc2nc(C3CCC(N)(CO)C3)ccc2C1
InChIInChI=1S/C16H24N2O/c1-11-2-4-14-12(8-11)3-5-15(18-14)13-6-7-16(17,9-13)10-19/h3,5,11,13,19H,2,4,6-10,17H2,1H3/t11-,13?,16?/m0/s1
InChIKeyRIGTVAMZHYNFEI-XOMBGVMMSA-N
MW260.38 g/mol
LogP2.16
Rot. Bonds2

About [1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol

[1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol (PubChem CID 126581671) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol
PubChem CID126581671
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol
SMILESC[C@H]1CCc2nc(C3CCC(N)(CO)C3)ccc2C1
InChIInChI=1S/C16H24N2O/c1-11-2-4-14-12(8-11)3-5-15(18-14)13-6-7-16(17,9-13)10-19/h3,5,11,13,19H,2,4,6-10,17H2,1H3/t11-,13?,16?/m0/s1
InChIKeyRIGTVAMZHYNFEI-XOMBGVMMSA-N
XLogP2.16
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol?
The IUPAC name of [1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol (CID 126581671) is [1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol is C[C@H]1CCc2nc(C3CCC(N)(CO)C3)ccc2C1.
What is the InChIKey of [1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol?
The InChIKey is RIGTVAMZHYNFEI-XOMBGVMMSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-2-4-14-12(8-11)3-5-15(18-14)13-6-7-16(17,9-13)10-19/h3,5,11,13,19H,2,4,6-10,17H2,1H3/t11-,13?,16?/m0/s1.
What are the key properties of [1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol?
[1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol has a molecular weight of 260.38 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[(6S)-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl]cyclopentyl]methanol is sourced from PubChem (CID 126581671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).