6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine

C18H29N3O — CID 123878669

IUPAC6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine
SMILESCCOC(C)CC1CC2(CCN(c3ccc(N)cn3)CC2)C1
InChIInChI=1S/C18H29N3O/c1-3-22-14(2)10-15-11-18(12-15)6-8-21(9-7-18)17-5-4-16(19)13-20-17/h4-5,13-15H,3,6-12,19H2,1-2H3
InChIKeyBITCFOKSMQMTLL-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.48
Rot. Bonds5

About 6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine

6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine (PubChem CID 123878669) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine
PubChem CID123878669
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine
SMILESCCOC(C)CC1CC2(CCN(c3ccc(N)cn3)CC2)C1
InChIInChI=1S/C18H29N3O/c1-3-22-14(2)10-15-11-18(12-15)6-8-21(9-7-18)17-5-4-16(19)13-20-17/h4-5,13-15H,3,6-12,19H2,1-2H3
InChIKeyBITCFOKSMQMTLL-UHFFFAOYSA-N
XLogP3.48
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine?
The IUPAC name of 6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine (CID 123878669) is 6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine.
What is the SMILES notation for 6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine?
The canonical SMILES for 6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine is CCOC(C)CC1CC2(CCN(c3ccc(N)cn3)CC2)C1.
What is the InChIKey of 6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine?
The InChIKey is BITCFOKSMQMTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-22-14(2)10-15-11-18(12-15)6-8-21(9-7-18)17-5-4-16(19)13-20-17/h4-5,13-15H,3,6-12,19H2,1-2H3.
What are the key properties of 6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine?
6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine has a molecular weight of 303.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-ethoxypropyl)-7-azaspiro[3.5]nonan-7-yl]pyridin-3-amine is sourced from PubChem (CID 123878669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).