1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine

C12H19N3O — CID 170894791

IUPAC1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine
SMILESNCC(N)c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C12H19N3O/c13-7-11(14)9-5-6-12(15-8-9)16-10-3-1-2-4-10/h5-6,8,10-11H,1-4,7,13-14H2
InChIKeyZOMCWXPYWOPREP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.36
Rot. Bonds4

About 1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine

1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine (PubChem CID 170894791) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine
PubChem CID170894791
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine
SMILESNCC(N)c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C12H19N3O/c13-7-11(14)9-5-6-12(15-8-9)16-10-3-1-2-4-10/h5-6,8,10-11H,1-4,7,13-14H2
InChIKeyZOMCWXPYWOPREP-UHFFFAOYSA-N
XLogP1.36
TPSA74.16 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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine (CID 170894791) is 1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine is NCC(N)c1ccc(OC2CCCC2)nc1.
What is the InChIKey of 1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is ZOMCWXPYWOPREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-7-11(14)9-5-6-12(15-8-9)16-10-3-1-2-4-10/h5-6,8,10-11H,1-4,7,13-14H2.
What are the key properties of 1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine?
1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 170894791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).