6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine

C18H29N3 — CID 144600690

IUPAC6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine
SMILESCCCCC1CC2(CCN(c3ccc(NC)cn3)CC2)C1
InChIInChI=1S/C18H29N3/c1-3-4-5-15-12-18(13-15)8-10-21(11-9-18)17-7-6-16(19-2)14-20-17/h6-7,14-15,19H,3-5,8-13H2,1-2H3
InChIKeyBWZGRUWMESFHET-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.31
Rot. Bonds5

About 6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine

6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine (PubChem CID 144600690) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine
PubChem CID144600690
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine
SMILESCCCCC1CC2(CCN(c3ccc(NC)cn3)CC2)C1
InChIInChI=1S/C18H29N3/c1-3-4-5-15-12-18(13-15)8-10-21(11-9-18)17-7-6-16(19-2)14-20-17/h6-7,14-15,19H,3-5,8-13H2,1-2H3
InChIKeyBWZGRUWMESFHET-UHFFFAOYSA-N
XLogP4.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine?
The IUPAC name of 6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine (CID 144600690) is 6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine.
What is the SMILES notation for 6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine?
The canonical SMILES for 6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine is CCCCC1CC2(CCN(c3ccc(NC)cn3)CC2)C1.
What is the InChIKey of 6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine?
The InChIKey is BWZGRUWMESFHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-4-5-15-12-18(13-15)8-10-21(11-9-18)17-7-6-16(19-2)14-20-17/h6-7,14-15,19H,3-5,8-13H2,1-2H3.
What are the key properties of 6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine?
6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine has a molecular weight of 287.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butyl-7-azaspiro[3.5]nonan-7-yl)-N-methylpyridin-3-amine is sourced from PubChem (CID 144600690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).