9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane

C23H44N2 — CID 174276699

IUPAC9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
SMILESCCC(C)CC1(CN2CCC3(CCN(CCC(C)C)CC3)CC2)CC1
InChIInChI=1S/C23H44N2/c1-5-21(4)18-23(7-8-23)19-25-16-11-22(12-17-25)9-14-24(15-10-22)13-6-20(2)3/h20-21H,5-19H2,1-4H3
InChIKeyDEVCPNCJUTZSBH-UHFFFAOYSA-N
MW348.62 g/mol
LogP5.43
Rot. Bonds8

About 9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane

9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane (PubChem CID 174276699) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
PubChem CID174276699
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
SMILESCCC(C)CC1(CN2CCC3(CCN(CCC(C)C)CC3)CC2)CC1
InChIInChI=1S/C23H44N2/c1-5-21(4)18-23(7-8-23)19-25-16-11-22(12-17-25)9-14-24(15-10-22)13-6-20(2)3/h20-21H,5-19H2,1-4H3
InChIKeyDEVCPNCJUTZSBH-UHFFFAOYSA-N
XLogP5.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane (CID 174276699) is 9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane is CCC(C)CC1(CN2CCC3(CCN(CCC(C)C)CC3)CC2)CC1.
What is the InChIKey of 9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is DEVCPNCJUTZSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2/c1-5-21(4)18-23(7-8-23)19-25-16-11-22(12-17-25)9-14-24(15-10-22)13-6-20(2)3/h20-21H,5-19H2,1-4H3.
What are the key properties of 9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane?
9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 348.62 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylbutyl)-3-[[1-(2-methylbutyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 174276699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).