trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol

C12H19NO2 — CID 102734364

IUPACtrans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol
SMILESCc1ccc(CN(C)[C@H]2CCC[C@@H]2O)o1
InChIInChI=1S/C12H19NO2/c1-9-6-7-10(15-9)8-13(2)11-4-3-5-12(11)14/h6-7,11-12,14H,3-5,8H2,1-2H3/t11-,12-/m0/s1
InChIKeyYUWZYWQNJDWCSG-RYUDHWBXSA-N
MW209.29 g/mol
LogP1.93
Rot. Bonds3

About trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol

trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol (PubChem CID 102734364) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol
PubChem CID102734364
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nametrans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol
SMILESCc1ccc(CN(C)[C@H]2CCC[C@@H]2O)o1
InChIInChI=1S/C12H19NO2/c1-9-6-7-10(15-9)8-13(2)11-4-3-5-12(11)14/h6-7,11-12,14H,3-5,8H2,1-2H3/t11-,12-/m0/s1
InChIKeyYUWZYWQNJDWCSG-RYUDHWBXSA-N
XLogP1.93
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide
CID 124725027
2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol
CID 102680065
trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol
CID 102734447
N-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 109397861
trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 102731964
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119958218
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 63043755
N-(cyclohexylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560208
(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944233
1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
CID 81179940
1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid
CID 114990412
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol (CID 102734364) is trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol is Cc1ccc(CN(C)[C@H]2CCC[C@@H]2O)o1.
What is the InChIKey of trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol?
The InChIKey is YUWZYWQNJDWCSG-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-6-7-10(15-9)8-13(2)11-4-3-5-12(11)14/h6-7,11-12,14H,3-5,8H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol is sourced from PubChem (CID 102734364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).