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

C9H19NO — CID 93346502

IUPACtrans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol
SMILESCC(C)N(C)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H19NO/c1-7(2)10(3)8-5-4-6-9(8)11/h7-9,11H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyQICMHIXVJKONJL-IUCAKERBSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds2

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

trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol (PubChem CID 93346502) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol
PubChem CID93346502
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nametrans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol
SMILESCC(C)N(C)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H19NO/c1-7(2)10(3)8-5-4-6-9(8)11/h7-9,11H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyQICMHIXVJKONJL-IUCAKERBSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol (CID 93346502) is trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol is CC(C)N(C)[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol?
The InChIKey is QICMHIXVJKONJL-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)10(3)8-5-4-6-9(8)11/h7-9,11H,4-6H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 93346502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).