3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol

C13H27NO — CID 115134351

IUPAC3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol
SMILESCN(CCC1CCCC1)C(C)(C)CCO
InChIInChI=1S/C13H27NO/c1-13(2,9-11-15)14(3)10-8-12-6-4-5-7-12/h12,15H,4-11H2,1-3H3
InChIKeyQITDWXRAMQDWKB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds6

About 3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol

3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol (PubChem CID 115134351) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol
PubChem CID115134351
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol
SMILESCN(CCC1CCCC1)C(C)(C)CCO
InChIInChI=1S/C13H27NO/c1-13(2,9-11-15)14(3)10-8-12-6-4-5-7-12/h12,15H,4-11H2,1-3H3
InChIKeyQITDWXRAMQDWKB-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol (CID 115134351) is 3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol is CN(CCC1CCCC1)C(C)(C)CCO.
What is the InChIKey of 3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol?
The InChIKey is QITDWXRAMQDWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,9-11-15)14(3)10-8-12-6-4-5-7-12/h12,15H,4-11H2,1-3H3.
What are the key properties of 3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol?
3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentylethyl(methyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 115134351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).