9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C19H30N2 — CID 64931469

IUPAC9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCc1ccc(N2CC3(CCCC3)NCC2C(C)C)cc1C
InChIInChI=1S/C19H30N2/c1-14(2)18-12-20-19(9-5-6-10-19)13-21(18)17-8-7-15(3)16(4)11-17/h7-8,11,14,18,20H,5-6,9-10,12-13H2,1-4H3
InChIKeyOJKTWFAFZGJDFG-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.05
Rot. Bonds2

About 9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane

9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64931469) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64931469
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCc1ccc(N2CC3(CCCC3)NCC2C(C)C)cc1C
InChIInChI=1S/C19H30N2/c1-14(2)18-12-20-19(9-5-6-10-19)13-21(18)17-8-7-15(3)16(4)11-17/h7-8,11,14,18,20H,5-6,9-10,12-13H2,1-4H3
InChIKeyOJKTWFAFZGJDFG-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.05
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

9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64932826
4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64935285
4-(4-chlorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934091
9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79046276
4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64932927
1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64946280
9-(1-methylpyrazol-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79785950
1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64935073
9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64948555
4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934711
9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64875834
1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64933707

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64931469) is 9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is Cc1ccc(N2CC3(CCCC3)NCC2C(C)C)cc1C.
What is the InChIKey of 9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is OJKTWFAFZGJDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(2)18-12-20-19(9-5-6-10-19)13-21(18)17-8-7-15(3)16(4)11-17/h7-8,11,14,18,20H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of 9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 286.46 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64931469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).