1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine

C20H40N4 — CID 155392436

IUPAC1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine
SMILESCC(C)(CCC(C)(C)N1CCC2(CCNCC2)C1)N1CCC(N)C1
InChIInChI=1S/C20H40N4/c1-18(2,23-13-5-17(21)15-23)6-7-19(3,4)24-14-10-20(16-24)8-11-22-12-9-20/h17,22H,5-16,21H2,1-4H3
InChIKeyRXMANGSBOAKQMY-UHFFFAOYSA-N
MW336.57 g/mol
LogP2.43
Rot. Bonds5

About 1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine

1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine (PubChem CID 155392436) has the molecular formula C20H40N4 and a molecular weight of 336.57 g/mol. Its IUPAC name is 1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine
PubChem CID155392436
Molecular FormulaC20H40N4
Molecular Weight336.57 g/mol
Exact Mass336.33
IUPAC Name1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine
SMILESCC(C)(CCC(C)(C)N1CCC2(CCNCC2)C1)N1CCC(N)C1
InChIInChI=1S/C20H40N4/c1-18(2,23-13-5-17(21)15-23)6-7-19(3,4)24-14-10-20(16-24)8-11-22-12-9-20/h17,22H,5-16,21H2,1-4H3
InChIKeyRXMANGSBOAKQMY-UHFFFAOYSA-N
XLogP2.43
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine (CID 155392436) is 1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine is CC(C)(CCC(C)(C)N1CCC2(CCNCC2)C1)N1CCC(N)C1.
What is the InChIKey of 1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine?
The InChIKey is RXMANGSBOAKQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4/c1-18(2,23-13-5-17(21)15-23)6-7-19(3,4)24-14-10-20(16-24)8-11-22-12-9-20/h17,22H,5-16,21H2,1-4H3.
What are the key properties of 1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine?
1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine has a molecular weight of 336.57 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,8-diazaspiro[4.5]decan-2-yl)-2,5-dimethylhexan-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 155392436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).