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

C18H38Cl2N2 — CID 15634108

IUPAC3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)propan-1-amine;dihydrochloride
SMILESCCCC1(CCC)CCC2(CCN(CCCN)C2)CC1.Cl.Cl
InChIInChI=1S/C18H36N2.2ClH/c1-3-6-17(7-4-2)8-10-18(11-9-17)12-15-20(16-18)14-5-13-19;;/h3-16,19H2,1-2H3;2*1H
InChIKeyDGEIEJVLLJZHND-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.03
Rot. Bonds7

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

3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)propan-1-amine;dihydrochloride (PubChem CID 15634108) has the molecular formula C18H38Cl2N2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)propan-1-amine;dihydrochloride
PubChem CID15634108
Molecular FormulaC18H38Cl2N2
Molecular Weight353.42 g/mol
Exact Mass352.24
IUPAC Name3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)propan-1-amine;dihydrochloride
SMILESCCCC1(CCC)CCC2(CCN(CCCN)C2)CC1.Cl.Cl
InChIInChI=1S/C18H36N2.2ClH/c1-3-6-17(7-4-2)8-10-18(11-9-17)12-15-20(16-18)14-5-13-19;;/h3-16,19H2,1-2H3;2*1H
InChIKeyDGEIEJVLLJZHND-UHFFFAOYSA-N
XLogP5.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
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-2-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)propan-1-amine;dihydrochloride (CID 15634108) is 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)propan-1-amine;dihydrochloride is CCCC1(CCC)CCC2(CCN(CCCN)C2)CC1.Cl.Cl.
What is the InChIKey of 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)propan-1-amine;dihydrochloride?
The InChIKey is DGEIEJVLLJZHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2.2ClH/c1-3-6-17(7-4-2)8-10-18(11-9-17)12-15-20(16-18)14-5-13-19;;/h3-16,19H2,1-2H3;2*1H.
What are the key properties of 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)propan-1-amine;dihydrochloride?
3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)propan-1-amine;dihydrochloride has a molecular weight of 353.42 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 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-2-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 15634108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).