1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine

C22H44N2 — CID 57237030

IUPAC1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine
SMILESCCCC1(CCC)CCC2(CCNC2CC(C)N(CC)CC)CC1
InChIInChI=1S/C22H44N2/c1-6-10-21(11-7-2)12-14-22(15-13-21)16-17-23-20(22)18-19(5)24(8-3)9-4/h19-20,23H,6-18H2,1-5H3
InChIKeyHJVPYCKBRKCXRY-UHFFFAOYSA-N
MW336.61 g/mol
LogP5.62
Rot. Bonds9

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

1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine (PubChem CID 57237030) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine.

Molecular Properties

Compound Name1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine
PubChem CID57237030
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine
SMILESCCCC1(CCC)CCC2(CCNC2CC(C)N(CC)CC)CC1
InChIInChI=1S/C22H44N2/c1-6-10-21(11-7-2)12-14-22(15-13-21)16-17-23-20(22)18-19(5)24(8-3)9-4/h19-20,23H,6-18H2,1-5H3
InChIKeyHJVPYCKBRKCXRY-UHFFFAOYSA-N
XLogP5.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine?
The IUPAC name of 1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine (CID 57237030) is 1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine.
What is the SMILES notation for 1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine?
The canonical SMILES for 1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine is CCCC1(CCC)CCC2(CCNC2CC(C)N(CC)CC)CC1.
What is the InChIKey of 1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine?
The InChIKey is HJVPYCKBRKCXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-6-10-21(11-7-2)12-14-22(15-13-21)16-17-23-20(22)18-19(5)24(8-3)9-4/h19-20,23H,6-18H2,1-5H3.
What are the key properties of 1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine?
1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine has a molecular weight of 336.61 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8,8-dipropyl-2-azaspiro[4.5]decan-1-yl)-N,N-diethylpropan-2-amine is sourced from PubChem (CID 57237030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).