3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine

C12H19N3O — CID 79462625

IUPAC3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine
SMILESCCOc1ncccc1NC1CCC(N)C1
InChIInChI=1S/C12H19N3O/c1-2-16-12-11(4-3-7-14-12)15-10-6-5-9(13)8-10/h3-4,7,9-10,15H,2,5-6,8,13H2,1H3
InChIKeyQAHKIIQLGUNIDA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.77
Rot. Bonds4

About 3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine

3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine (PubChem CID 79462625) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine
PubChem CID79462625
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine
SMILESCCOc1ncccc1NC1CCC(N)C1
InChIInChI=1S/C12H19N3O/c1-2-16-12-11(4-3-7-14-12)15-10-6-5-9(13)8-10/h3-4,7,9-10,15H,2,5-6,8,13H2,1H3
InChIKeyQAHKIIQLGUNIDA-UHFFFAOYSA-N
XLogP1.77
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine (CID 79462625) is 3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine is CCOc1ncccc1NC1CCC(N)C1.
What is the InChIKey of 3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine?
The InChIKey is QAHKIIQLGUNIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-16-12-11(4-3-7-14-12)15-10-6-5-9(13)8-10/h3-4,7,9-10,15H,2,5-6,8,13H2,1H3.
What are the key properties of 3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine?
3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79462625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).