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

C13H27NO — CID 59063057

IUPAC(1S,2S,3S,5R)-2-(1-amino-2-ethylbutyl)-3,5-dimethylcyclopentan-1-ol
SMILESCCC(CC)C(N)[C@H]1[C@@H](O)[C@H](C)C[C@@H]1C
InChIInChI=1S/C13H27NO/c1-5-10(6-2)12(14)11-8(3)7-9(4)13(11)15/h8-13,15H,5-7,14H2,1-4H3/t8-,9+,11-,12?,13-/m0/s1
InChIKeyNJZQBWSKXVGMPC-DBOUDZOISA-N
MW213.36 g/mol
LogP2.40
Rot. Bonds4

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

(1S,2S,3S,5R)-2-(1-amino-2-ethylbutyl)-3,5-dimethylcyclopentan-1-ol (PubChem CID 59063057) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (1S,2S,3S,5R)-2-(1-amino-2-ethylbutyl)-3,5-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,3S,5R)-2-(1-amino-2-ethylbutyl)-3,5-dimethylcyclopentan-1-ol
PubChem CID59063057
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(1S,2S,3S,5R)-2-(1-amino-2-ethylbutyl)-3,5-dimethylcyclopentan-1-ol
SMILESCCC(CC)C(N)[C@H]1[C@@H](O)[C@H](C)C[C@@H]1C
InChIInChI=1S/C13H27NO/c1-5-10(6-2)12(14)11-8(3)7-9(4)13(11)15/h8-13,15H,5-7,14H2,1-4H3/t8-,9+,11-,12?,13-/m0/s1
InChIKeyNJZQBWSKXVGMPC-DBOUDZOISA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5R)-2-(1-amino-2-ethylbutyl)-3,5-dimethylcyclopentan-1-ol?
The IUPAC name of (1S,2S,3S,5R)-2-(1-amino-2-ethylbutyl)-3,5-dimethylcyclopentan-1-ol (CID 59063057) is (1S,2S,3S,5R)-2-(1-amino-2-ethylbutyl)-3,5-dimethylcyclopentan-1-ol.
What is the SMILES notation for (1S,2S,3S,5R)-2-(1-amino-2-ethylbutyl)-3,5-dimethylcyclopentan-1-ol?
The canonical SMILES for (1S,2S,3S,5R)-2-(1-amino-2-ethylbutyl)-3,5-dimethylcyclopentan-1-ol is CCC(CC)C(N)[C@H]1[C@@H](O)[C@H](C)C[C@@H]1C.
What is the InChIKey of (1S,2S,3S,5R)-2-(1-amino-2-ethylbutyl)-3,5-dimethylcyclopentan-1-ol?
The InChIKey is NJZQBWSKXVGMPC-DBOUDZOISA-N. The full InChI is InChI=1S/C13H27NO/c1-5-10(6-2)12(14)11-8(3)7-9(4)13(11)15/h8-13,15H,5-7,14H2,1-4H3/t8-,9+,11-,12?,13-/m0/s1.
What are the key properties of (1S,2S,3S,5R)-2-(1-amino-2-ethylbutyl)-3,5-dimethylcyclopentan-1-ol?
(1S,2S,3S,5R)-2-(1-amino-2-ethylbutyl)-3,5-dimethylcyclopentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,5R)-2-(1-amino-2-ethylbutyl)-3,5-dimethylcyclopentan-1-ol is sourced from PubChem (CID 59063057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).