2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane

C19H30N2 — CID 82038702

IUPAC2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane
SMILESCC(C)c1ccc(CCCN2CCC3(CCNC3)C2)cc1
InChIInChI=1S/C19H30N2/c1-16(2)18-7-5-17(6-8-18)4-3-12-21-13-10-19(15-21)9-11-20-14-19/h5-8,16,20H,3-4,9-15H2,1-2H3
InChIKeyFJYTUVDMSPNDSU-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.43
Rot. Bonds5

About 2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane

2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 82038702) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane
PubChem CID82038702
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane
SMILESCC(C)c1ccc(CCCN2CCC3(CCNC3)C2)cc1
InChIInChI=1S/C19H30N2/c1-16(2)18-7-5-17(6-8-18)4-3-12-21-13-10-19(15-21)9-11-20-14-19/h5-8,16,20H,3-4,9-15H2,1-2H3
InChIKeyFJYTUVDMSPNDSU-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane (CID 82038702) is 2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane is CC(C)c1ccc(CCCN2CCC3(CCNC3)C2)cc1.
What is the InChIKey of 2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is FJYTUVDMSPNDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16(2)18-7-5-17(6-8-18)4-3-12-21-13-10-19(15-21)9-11-20-14-19/h5-8,16,20H,3-4,9-15H2,1-2H3.
What are the key properties of 2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane?
2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 286.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 82038702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).