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

C12H25NO — CID 102734588

IUPACtrans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol
SMILESCC(C)CN(C(C)C)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C12H25NO/c1-9(2)8-13(10(3)4)11-6-5-7-12(11)14/h9-12,14H,5-8H2,1-4H3/t11-,12-/m0/s1
InChIKeyUGRGIMWFRPQOQE-RYUDHWBXSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds4

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

trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol (PubChem CID 102734588) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol
PubChem CID102734588
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nametrans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol
SMILESCC(C)CN(C(C)C)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C12H25NO/c1-9(2)8-13(10(3)4)11-6-5-7-12(11)14/h9-12,14H,5-8H2,1-4H3/t11-,12-/m0/s1
InChIKeyUGRGIMWFRPQOQE-RYUDHWBXSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[bis(2-methylpropyl)amino]cyclopentan-1-ol
CID 102734440
2-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 60886338
2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol
CID 63470374
trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734568
2-[2-methoxyethyl(propan-2-yl)amino]cyclopentan-1-ol
CID 82960183
3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile
CID 102734577
trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
CID 102732042
trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol
CID 93346502
2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol
CID 63472662
trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol
CID 102731869
2-[cyclopropyl(3-methylbutyl)amino]cyclopentan-1-ol
CID 78974485
trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
CID 102734532

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol (CID 102734588) is trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol is CC(C)CN(C(C)C)[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol?
The InChIKey is UGRGIMWFRPQOQE-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)8-13(10(3)4)11-6-5-7-12(11)14/h9-12,14H,5-8H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102734588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).