(1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol

C14H27NO — CID 70669966

IUPAC(1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol
SMILESCCN[C@@H](C(C)C)[C@H](O)C1=C(CC)CCC1
InChIInChI=1S/C14H27NO/c1-5-11-8-7-9-12(11)14(16)13(10(3)4)15-6-2/h10,13-16H,5-9H2,1-4H3/t13-,14+/m0/s1
InChIKeyNIVZDQSUJXVKJU-UONOGXRCSA-N
MW225.38 g/mol
LogP2.87
Rot. Bonds6

About (1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol

(1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol (PubChem CID 70669966) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol
PubChem CID70669966
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol
SMILESCCN[C@@H](C(C)C)[C@H](O)C1=C(CC)CCC1
InChIInChI=1S/C14H27NO/c1-5-11-8-7-9-12(11)14(16)13(10(3)4)15-6-2/h10,13-16H,5-9H2,1-4H3/t13-,14+/m0/s1
InChIKeyNIVZDQSUJXVKJU-UONOGXRCSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol?
The IUPAC name of (1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol (CID 70669966) is (1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol.
What is the SMILES notation for (1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol?
The canonical SMILES for (1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol is CCN[C@@H](C(C)C)[C@H](O)C1=C(CC)CCC1.
What is the InChIKey of (1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol?
The InChIKey is NIVZDQSUJXVKJU-UONOGXRCSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-11-8-7-9-12(11)14(16)13(10(3)4)15-6-2/h10,13-16H,5-9H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of (1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol?
(1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 70669966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).