[(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol

C15H24N2O — CID 100596277

IUPAC[(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol
SMILESCc1cccc(CN(C)[C@@]2(CO)CC[C@@H](C)C2)n1
InChIInChI=1S/C15H24N2O/c1-12-7-8-15(9-12,11-18)17(3)10-14-6-4-5-13(2)16-14/h4-6,12,18H,7-11H2,1-3H3/t12-,15+/m1/s1
InChIKeyKDWRVMDEYZDUCY-DOMZBBRYSA-N
MW248.37 g/mol
LogP2.37
Rot. Bonds4

About [(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol

[(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol (PubChem CID 100596277) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol
PubChem CID100596277
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol
SMILESCc1cccc(CN(C)[C@@]2(CO)CC[C@@H](C)C2)n1
InChIInChI=1S/C15H24N2O/c1-12-7-8-15(9-12,11-18)17(3)10-14-6-4-5-13(2)16-14/h4-6,12,18H,7-11H2,1-3H3/t12-,15+/m1/s1
InChIKeyKDWRVMDEYZDUCY-DOMZBBRYSA-N
XLogP2.37
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol?
The IUPAC name of [(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol (CID 100596277) is [(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol.
What is the SMILES notation for [(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol?
The canonical SMILES for [(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol is Cc1cccc(CN(C)[C@@]2(CO)CC[C@@H](C)C2)n1.
What is the InChIKey of [(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol?
The InChIKey is KDWRVMDEYZDUCY-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-7-8-15(9-12,11-18)17(3)10-14-6-4-5-13(2)16-14/h4-6,12,18H,7-11H2,1-3H3/t12-,15+/m1/s1.
What are the key properties of [(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol?
[(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol has a molecular weight of 248.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclopentyl]methanol is sourced from PubChem (CID 100596277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).