trans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol

C13H27NO — CID 102734440

IUPACtrans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol
SMILESCC(C)CN(CC(C)C)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C13H27NO/c1-10(2)8-14(9-11(3)4)12-6-5-7-13(12)15/h10-13,15H,5-9H2,1-4H3/t12-,13-/m1/s1
InChIKeyMFUGKTIQGRZXGL-CHWSQXEVSA-N
MW213.37 g/mol
LogP2.51
Rot. Bonds5

About trans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol

trans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol (PubChem CID 102734440) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol
PubChem CID102734440
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Nametrans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol
SMILESCC(C)CN(CC(C)C)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C13H27NO/c1-10(2)8-14(9-11(3)4)12-6-5-7-13(12)15/h10-13,15H,5-9H2,1-4H3/t12-,13-/m1/s1
InChIKeyMFUGKTIQGRZXGL-CHWSQXEVSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol (CID 102734440) is trans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol is CC(C)CN(CC(C)C)[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol?
The InChIKey is MFUGKTIQGRZXGL-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)8-14(9-11(3)4)12-6-5-7-13(12)15/h10-13,15H,5-9H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol has a molecular weight of 213.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102734440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).