trans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol

C18H29NO — CID 58637113

IUPACtrans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol
SMILESCc1cc(C(C)C)c(N[C@H]2CCC[C@@H]2O)c(C(C)C)c1
InChIInChI=1S/C18H29NO/c1-11(2)14-9-13(5)10-15(12(3)4)18(14)19-16-7-6-8-17(16)20/h9-12,16-17,19-20H,6-8H2,1-5H3/t16-,17-/m0/s1
InChIKeyIZTDAAWTPYIDPB-IRXDYDNUSA-N
MW275.44 g/mol
LogP4.57
Rot. Bonds4

About trans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol

trans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol (PubChem CID 58637113) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol
PubChem CID58637113
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Nametrans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol
SMILESCc1cc(C(C)C)c(N[C@H]2CCC[C@@H]2O)c(C(C)C)c1
InChIInChI=1S/C18H29NO/c1-11(2)14-9-13(5)10-15(12(3)4)18(14)19-16-7-6-8-17(16)20/h9-12,16-17,19-20H,6-8H2,1-5H3/t16-,17-/m0/s1
InChIKeyIZTDAAWTPYIDPB-IRXDYDNUSA-N
XLogP4.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol (CID 58637113) is trans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol is Cc1cc(C(C)C)c(N[C@H]2CCC[C@@H]2O)c(C(C)C)c1.
What is the InChIKey of trans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol?
The InChIKey is IZTDAAWTPYIDPB-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H29NO/c1-11(2)14-9-13(5)10-15(12(3)4)18(14)19-16-7-6-8-17(16)20/h9-12,16-17,19-20H,6-8H2,1-5H3/t16-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol?
trans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-methyl-2,6-di(propan-2-yl)anilino]cyclopentan-1-ol is sourced from PubChem (CID 58637113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).