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

C11H23NO — CID 166652278

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

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

(1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol (PubChem CID 166652278) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol
PubChem CID166652278
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol
SMILESCCCC[C@@]1(C)C(C)C[C@H](N)[C@H]1O
InChIInChI=1S/C11H23NO/c1-4-5-6-11(3)8(2)7-9(12)10(11)13/h8-10,13H,4-7,12H2,1-3H3/t8?,9-,10+,11-/m0/s1
InChIKeyANILCZSXIQFWDE-GYIHNLGQSA-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

trans-(1R,5S)-5-amino-3-butyl-2,2-dimethylcyclopentan-1-ol
CID 166652255
4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine
CID 143547151
3-butyl-3-methylcyclobutan-1-ol
CID 123195778
4-(2-butyl-2,3,6-trimethylcyclohexyl)-3-hydroxybutan-2-one
CID 144565955
2-butyl-2,3,3-trimethylcyclopropan-1-amine
CID 131113723
2-methyl-4-pentylcyclobutan-1-amine
CID 138495120
1-butyl-2-methyl-1-propylcyclopropane
CID 123815284
3-butyl-1,2,3,5-tetramethylbicyclo[2.2.1]heptane
CID 123466249
1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
CID 90804985
3-butyl-1,1,2,5-tetramethylcyclopentane
CID 123562487
4-amino-2-tetradecylpyrrolidin-3-ol
CID 75576772
[(1S,2S,3R)-2-butyl-2-methyl-3-[(E)-prop-1-enyl]cyclopropyl]methanol
CID 134686984

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol?
The IUPAC name of (1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol (CID 166652278) is (1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for (1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol?
The canonical SMILES for (1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol is CCCC[C@@]1(C)C(C)C[C@H](N)[C@H]1O.
What is the InChIKey of (1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol?
The InChIKey is ANILCZSXIQFWDE-GYIHNLGQSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-6-11(3)8(2)7-9(12)10(11)13/h8-10,13H,4-7,12H2,1-3H3/t8?,9-,10+,11-/m0/s1.
What are the key properties of (1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol?
(1S,2S,5S)-5-amino-2-butyl-2,3-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 (1S,2S,5S)-5-amino-2-butyl-2,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 166652278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).