trans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol

C11H23NO — CID 166652255

IUPACtrans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol
SMILESCCCCC1C[C@H](N)[C@H](O)C1(C)C
InChIInChI=1S/C11H23NO/c1-4-5-6-8-7-9(12)10(13)11(8,2)3/h8-10,13H,4-7,12H2,1-3H3/t8?,9-,10-/m0/s1
InChIKeyDBUPMWHJULXSRF-AGROOBSYSA-N
MW185.31 g/mol
LogP1.91
Rot. Bonds3

About trans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol

trans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol (PubChem CID 166652255) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is trans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol
PubChem CID166652255
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nametrans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol
SMILESCCCCC1C[C@H](N)[C@H](O)C1(C)C
InChIInChI=1S/C11H23NO/c1-4-5-6-8-7-9(12)10(13)11(8,2)3/h8-10,13H,4-7,12H2,1-3H3/t8?,9-,10-/m0/s1
InChIKeyDBUPMWHJULXSRF-AGROOBSYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol
CID 166652278
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
3-butyl-1,1,2,5-tetramethylcyclopentane
CID 123562487
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
(1-amino-2-butylcyclopropyl)methanol
CID 10726049
azane;2-butyl-1,1-dimethylcyclopentane
CID 174501444
(3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine
CID 11052065
(1S,3S,5R)-6,6-dimethyl-3-propylbicyclo[3.1.1]heptan-2-amine
CID 58974255
2-butyl-1-methyl-1-nitrosocyclopropane
CID 88564371
3,4-dibutylcyclohexan-1-ol
CID 71347162
cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol
CID 97300410

Frequently Asked Questions

What is the IUPAC name of trans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of trans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol (CID 166652255) is trans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol is CCCCC1C[C@H](N)[C@H](O)C1(C)C.
What is the InChIKey of trans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol?
The InChIKey is DBUPMWHJULXSRF-AGROOBSYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-6-8-7-9(12)10(13)11(8,2)3/h8-10,13H,4-7,12H2,1-3H3/t8?,9-,10-/m0/s1.
What are the key properties of trans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol?
trans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 166652255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).