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

C22H44N2 — CID 57139222

IUPAC3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-ethylpentan-2-amine
SMILESCCCC1(CCC)CCC2(CCNC2C(CC)(CC)C(C)N)CC1
InChIInChI=1S/C22H44N2/c1-6-10-20(11-7-2)12-14-21(15-13-20)16-17-24-19(21)22(8-3,9-4)18(5)23/h18-19,24H,6-17,23H2,1-5H3
InChIKeyHKEZLCCLZXLWIZ-UHFFFAOYSA-N
MW336.61 g/mol
LogP5.65
Rot. Bonds8

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

3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-ethylpentan-2-amine (PubChem CID 57139222) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-ethylpentan-2-amine.

Molecular Properties

Compound Name3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-ethylpentan-2-amine
PubChem CID57139222
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-ethylpentan-2-amine
SMILESCCCC1(CCC)CCC2(CCNC2C(CC)(CC)C(C)N)CC1
InChIInChI=1S/C22H44N2/c1-6-10-20(11-7-2)12-14-21(15-13-20)16-17-24-19(21)22(8-3,9-4)18(5)23/h18-19,24H,6-17,23H2,1-5H3
InChIKeyHKEZLCCLZXLWIZ-UHFFFAOYSA-N
XLogP5.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 55.65
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-ethylpentan-2-amine?
The IUPAC name of 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-ethylpentan-2-amine (CID 57139222) is 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-ethylpentan-2-amine.
What is the SMILES notation for 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-ethylpentan-2-amine?
The canonical SMILES for 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-ethylpentan-2-amine is CCCC1(CCC)CCC2(CCNC2C(CC)(CC)C(C)N)CC1.
What is the InChIKey of 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-ethylpentan-2-amine?
The InChIKey is HKEZLCCLZXLWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-6-10-20(11-7-2)12-14-21(15-13-20)16-17-24-19(21)22(8-3,9-4)18(5)23/h18-19,24H,6-17,23H2,1-5H3.
What are the key properties of 3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-ethylpentan-2-amine?
3-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-3-ethylpentan-2-amine has a molecular weight of 336.61 g/mol, XLogP of 5.65, 8 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-ethylpentan-2-amine is sourced from PubChem (CID 57139222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).