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

C19H40Cl2N2 — CID 15634107

IUPAC3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine;dihydrochloride
SMILESCCCC1(CCC)CCC2(CCN(CCCNC)C2)CC1.Cl.Cl
InChIInChI=1S/C19H38N2.2ClH/c1-4-7-18(8-5-2)9-11-19(12-10-18)13-16-21(17-19)15-6-14-20-3;;/h20H,4-17H2,1-3H3;2*1H
InChIKeySLXXRUPRJLLJAY-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.29
Rot. Bonds8

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

3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine;dihydrochloride (PubChem CID 15634107) has the molecular formula C19H40Cl2N2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine;dihydrochloride
PubChem CID15634107
Molecular FormulaC19H40Cl2N2
Molecular Weight367.45 g/mol
Exact Mass366.26
IUPAC Name3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine;dihydrochloride
SMILESCCCC1(CCC)CCC2(CCN(CCCNC)C2)CC1.Cl.Cl
InChIInChI=1S/C19H38N2.2ClH/c1-4-7-18(8-5-2)9-11-19(12-10-18)13-16-21(17-19)15-6-14-20-3;;/h20H,4-17H2,1-3H3;2*1H
InChIKeySLXXRUPRJLLJAY-UHFFFAOYSA-N
XLogP5.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine;dihydrochloride?
The IUPAC name of 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine;dihydrochloride (CID 15634107) is 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine;dihydrochloride?
The canonical SMILES for 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine;dihydrochloride is CCCC1(CCC)CCC2(CCN(CCCNC)C2)CC1.Cl.Cl.
What is the InChIKey of 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine;dihydrochloride?
The InChIKey is SLXXRUPRJLLJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2.2ClH/c1-4-7-18(8-5-2)9-11-19(12-10-18)13-16-21(17-19)15-6-14-20-3;;/h20H,4-17H2,1-3H3;2*1H.
What are the key properties of 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine;dihydrochloride?
3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine;dihydrochloride has a molecular weight of 367.45 g/mol, XLogP of 5.29, 8 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)-N-methylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 15634107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).