2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine

C21H40N2 — CID 118662024

IUPAC2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
SMILESCCCCN1CCC2(CCC(CC3CCCC3)(N(C)C)CC2)C1
InChIInChI=1S/C21H40N2/c1-4-5-15-23-16-14-20(18-23)10-12-21(13-11-20,22(2)3)17-19-8-6-7-9-19/h19H,4-18H2,1-3H3
InChIKeyJZENABGPISMBBK-UHFFFAOYSA-N
MW320.57 g/mol
LogP4.93
Rot. Bonds6

About 2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine

2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine (PubChem CID 118662024) has the molecular formula C21H40N2 and a molecular weight of 320.57 g/mol. Its IUPAC name is 2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
PubChem CID118662024
Molecular FormulaC21H40N2
Molecular Weight320.57 g/mol
Exact Mass320.32
IUPAC Name2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
SMILESCCCCN1CCC2(CCC(CC3CCCC3)(N(C)C)CC2)C1
InChIInChI=1S/C21H40N2/c1-4-5-15-23-16-14-20(18-23)10-12-21(13-11-20,22(2)3)17-19-8-6-7-9-19/h19H,4-18H2,1-3H3
InChIKeyJZENABGPISMBBK-UHFFFAOYSA-N
XLogP4.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine?
The IUPAC name of 2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine (CID 118662024) is 2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine.
What is the SMILES notation for 2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine?
The canonical SMILES for 2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine is CCCCN1CCC2(CCC(CC3CCCC3)(N(C)C)CC2)C1.
What is the InChIKey of 2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine?
The InChIKey is JZENABGPISMBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2/c1-4-5-15-23-16-14-20(18-23)10-12-21(13-11-20,22(2)3)17-19-8-6-7-9-19/h19H,4-18H2,1-3H3.
What are the key properties of 2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine?
2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine has a molecular weight of 320.57 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine is sourced from PubChem (CID 118662024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).