8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane

C19H30N2 — CID 64935977

IUPAC8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane
SMILESCCCc1ccc(N2CC3(CCCC3)NCC2CC)cc1
InChIInChI=1S/C19H30N2/c1-3-7-16-8-10-18(11-9-16)21-15-19(12-5-6-13-19)20-14-17(21)4-2/h8-11,17,20H,3-7,12-15H2,1-2H3
InChIKeyGMEMEYCTGMGVSQ-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.14
Rot. Bonds4

About 8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane

8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64935977) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane
PubChem CID64935977
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane
SMILESCCCc1ccc(N2CC3(CCCC3)NCC2CC)cc1
InChIInChI=1S/C19H30N2/c1-3-7-16-8-10-18(11-9-16)21-15-19(12-5-6-13-19)20-14-17(21)4-2/h8-11,17,20H,3-7,12-15H2,1-2H3
InChIKeyGMEMEYCTGMGVSQ-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 64933025
9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 107617370
3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64932241
8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 79046966
8-ethyl-9-(4-fluoro-3-methoxyphenyl)-6,9-diazaspiro[4.5]decane
CID 114840965
9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934134
3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64933062
4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64931476
9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 65499291
9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64947782
3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64931267
3-ethyl-4-(4-fluoro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane
CID 79762113

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane (CID 64935977) is 8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane is CCCc1ccc(N2CC3(CCCC3)NCC2CC)cc1.
What is the InChIKey of 8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is GMEMEYCTGMGVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-7-16-8-10-18(11-9-16)21-15-19(12-5-6-13-19)20-14-17(21)4-2/h8-11,17,20H,3-7,12-15H2,1-2H3.
What are the key properties of 8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane?
8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 286.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64935977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).