3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine

C20H40N2 — CID 57134765

IUPAC3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine
SMILESCCCC1(CCC)CCC2(CCNC2C(C)(C)C(C)N)CC1
InChIInChI=1S/C20H40N2/c1-6-8-19(9-7-2)10-12-20(13-11-19)14-15-22-17(20)18(4,5)16(3)21/h16-17,22H,6-15,21H2,1-5H3
InChIKeyFXXZETOSHKRUKR-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.87
Rot. Bonds6

About 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine

3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine (PubChem CID 57134765) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine
PubChem CID57134765
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine
SMILESCCCC1(CCC)CCC2(CCNC2C(C)(C)C(C)N)CC1
InChIInChI=1S/C20H40N2/c1-6-8-19(9-7-2)10-12-20(13-11-19)14-15-22-17(20)18(4,5)16(3)21/h16-17,22H,6-15,21H2,1-5H3
InChIKeyFXXZETOSHKRUKR-UHFFFAOYSA-N
XLogP4.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine?
The IUPAC name of 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine (CID 57134765) is 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine.
What is the SMILES notation for 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine?
The canonical SMILES for 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine is CCCC1(CCC)CCC2(CCNC2C(C)(C)C(C)N)CC1.
What is the InChIKey of 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine?
The InChIKey is FXXZETOSHKRUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-6-8-19(9-7-2)10-12-20(13-11-19)14-15-22-17(20)18(4,5)16(3)21/h16-17,22H,6-15,21H2,1-5H3.
What are the key properties of 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine?
3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine has a molecular weight of 308.55 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 57134765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).