2-Azaspiro[4.5]decane, 2-[6-(1-piperidinyl)hexyl]-8,8-dipropyl-

C26H50N2 — CID 9800596

IUPAC2-(6-piperidin-1-ylhexyl)-8,8-dipropyl-2-azaspiro[4.5]decane
SMILESCCCC1(CCC2(CC1)CCN(C2)CCCCCCN3CCCCC3)CCC
InChIInChI=1S/C26H50N2/c1-3-12-25(13-4-2)14-16-26(17-15-25)18-23-28(24-26)22-9-6-5-8-19-27-20-10-7-11-21-27/h3-24H2,1-2H3
InChIKeyRCBCKRTXQAZNHR-UHFFFAOYSA-N
MW390.70 g/mol
LogP7.70
Rot. Bonds11

About 2-Azaspiro[4.5]decane, 2-[6-(1-piperidinyl)hexyl]-8,8-dipropyl-

2-Azaspiro[4.5]decane, 2-[6-(1-piperidinyl)hexyl]-8,8-dipropyl- (PubChem CID 9800596) has the molecular formula C26H50N2 and a molecular weight of 390.70 g/mol. Its IUPAC name is 2-(6-piperidin-1-ylhexyl)-8,8-dipropyl-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-Azaspiro[4.5]decane, 2-[6-(1-piperidinyl)hexyl]-8,8-dipropyl-
PubChem CID9800596
Molecular FormulaC26H50N2
Molecular Weight390.70 g/mol
Exact Mass390.40
IUPAC Name2-(6-piperidin-1-ylhexyl)-8,8-dipropyl-2-azaspiro[4.5]decane
SMILESCCCC1(CCC2(CC1)CCN(C2)CCCCCCN3CCCCC3)CCC
InChIInChI=1S/C26H50N2/c1-3-12-25(13-4-2)14-16-26(17-15-25)18-23-28(24-26)22-9-6-5-8-19-27-20-10-7-11-21-27/h3-24H2,1-2H3
InChIKeyRCBCKRTXQAZNHR-UHFFFAOYSA-N
XLogP7.70
TPSA6.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity410

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.70
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Atiprimod
CID 129869
SK&F 105685
CID 121957
Atiprimod Dihydrochloride
CID 166556
3-(9-tert-butyl-3-azaspiro[5.5]undec-3-yl)-N,N-dimethyl-1-propanamine
CID 56993
3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N, dihydrochloride
CID 54605840
2-(3-(1-Piperidinyl)propyl)-8,8-dipropyl-2-azaspiro(4.5)decane
CID 129872
3-(3-Azaspiro(5.5)undec-3-yl)-N,N-dimethyl-1-propanamine
CID 415698
3-(9,9-dipropyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine
CID 9797268
2-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylethanamine
CID 9817615
4-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylbutan-1-amine
CID 9818616
6-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylhexan-1-amine
CID 9841350
3-[8,8-bis(2-methylpropyl)-2-azaspiro[4.5]decan-2-yl]-N,N-dimethylpropan-1-amine
CID 9862607

Frequently Asked Questions

What is the IUPAC name of 2-Azaspiro[4.5]decane, 2-[6-(1-piperidinyl)hexyl]-8,8-dipropyl-?
The IUPAC name of 2-Azaspiro[4.5]decane, 2-[6-(1-piperidinyl)hexyl]-8,8-dipropyl- (CID 9800596) is 2-(6-piperidin-1-ylhexyl)-8,8-dipropyl-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-Azaspiro[4.5]decane, 2-[6-(1-piperidinyl)hexyl]-8,8-dipropyl-?
The canonical SMILES for 2-Azaspiro[4.5]decane, 2-[6-(1-piperidinyl)hexyl]-8,8-dipropyl- is CCCC1(CCC2(CC1)CCN(C2)CCCCCCN3CCCCC3)CCC.
What is the InChIKey of 2-Azaspiro[4.5]decane, 2-[6-(1-piperidinyl)hexyl]-8,8-dipropyl-?
The InChIKey is RCBCKRTXQAZNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2/c1-3-12-25(13-4-2)14-16-26(17-15-25)18-23-28(24-26)22-9-6-5-8-19-27-20-10-7-11-21-27/h3-24H2,1-2H3.
What are the key properties of 2-Azaspiro[4.5]decane, 2-[6-(1-piperidinyl)hexyl]-8,8-dipropyl-?
2-Azaspiro[4.5]decane, 2-[6-(1-piperidinyl)hexyl]-8,8-dipropyl- has a molecular weight of 390.70 g/mol, XLogP of 7.70, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Azaspiro[4.5]decane, 2-[6-(1-piperidinyl)hexyl]-8,8-dipropyl- is sourced from PubChem (CID 9800596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).