1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol

C13H27NO — CID 71071156

IUPAC1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol
SMILESCCCC(O)N(CC)C1CCCC1CC
InChIInChI=1S/C13H27NO/c1-4-8-13(15)14(6-3)12-10-7-9-11(12)5-2/h11-13,15H,4-10H2,1-3H3
InChIKeyAPZCBCXKHJRTET-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.01
Rot. Bonds6

About 1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol

1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol (PubChem CID 71071156) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol.

Molecular Properties

Compound Name1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol
PubChem CID71071156
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol
SMILESCCCC(O)N(CC)C1CCCC1CC
InChIInChI=1S/C13H27NO/c1-4-8-13(15)14(6-3)12-10-7-9-11(12)5-2/h11-13,15H,4-10H2,1-3H3
InChIKeyAPZCBCXKHJRTET-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol?
The IUPAC name of 1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol (CID 71071156) is 1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol.
What is the SMILES notation for 1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol?
The canonical SMILES for 1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol is CCCC(O)N(CC)C1CCCC1CC.
What is the InChIKey of 1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol?
The InChIKey is APZCBCXKHJRTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-8-13(15)14(6-3)12-10-7-9-11(12)5-2/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol?
1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol is sourced from PubChem (CID 71071156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).