(3S)-3-cyclopentyl-3-ethoxypropan-1-amine

C10H21NO — CID 95757314

IUPAC(3S)-3-cyclopentyl-3-ethoxypropan-1-amine
SMILESCCO[C@@H](CCN)C1CCCC1
InChIInChI=1S/C10H21NO/c1-2-12-10(7-8-11)9-5-3-4-6-9/h9-10H,2-8,11H2,1H3/t10-/m0/s1
InChIKeyQFVYSRYGSVZTKF-JTQLQIEISA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds5

About (3S)-3-cyclopentyl-3-ethoxypropan-1-amine

(3S)-3-cyclopentyl-3-ethoxypropan-1-amine (PubChem CID 95757314) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3S)-3-cyclopentyl-3-ethoxypropan-1-amine.

Molecular Properties

Compound Name(3S)-3-cyclopentyl-3-ethoxypropan-1-amine
PubChem CID95757314
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3S)-3-cyclopentyl-3-ethoxypropan-1-amine
SMILESCCO[C@@H](CCN)C1CCCC1
InChIInChI=1S/C10H21NO/c1-2-12-10(7-8-11)9-5-3-4-6-9/h9-10H,2-8,11H2,1H3/t10-/m0/s1
InChIKeyQFVYSRYGSVZTKF-JTQLQIEISA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopentyl-3-ethoxypropan-1-amine?
The IUPAC name of (3S)-3-cyclopentyl-3-ethoxypropan-1-amine (CID 95757314) is (3S)-3-cyclopentyl-3-ethoxypropan-1-amine.
What is the SMILES notation for (3S)-3-cyclopentyl-3-ethoxypropan-1-amine?
The canonical SMILES for (3S)-3-cyclopentyl-3-ethoxypropan-1-amine is CCO[C@@H](CCN)C1CCCC1.
What is the InChIKey of (3S)-3-cyclopentyl-3-ethoxypropan-1-amine?
The InChIKey is QFVYSRYGSVZTKF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO/c1-2-12-10(7-8-11)9-5-3-4-6-9/h9-10H,2-8,11H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-cyclopentyl-3-ethoxypropan-1-amine?
(3S)-3-cyclopentyl-3-ethoxypropan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopentyl-3-ethoxypropan-1-amine is sourced from PubChem (CID 95757314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).