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

C18H28N2 — CID 64932826

IUPAC9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCc1cccc(N2CC3(CCCC3)NCC2C(C)C)c1
InChIInChI=1S/C18H28N2/c1-14(2)17-12-19-18(9-4-5-10-18)13-20(17)16-8-6-7-15(3)11-16/h6-8,11,14,17,19H,4-5,9-10,12-13H2,1-3H3
InChIKeyWHFRYLDIJLAAGV-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.74
Rot. Bonds2

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

9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64932826) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64932826
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCc1cccc(N2CC3(CCCC3)NCC2C(C)C)c1
InChIInChI=1S/C18H28N2/c1-14(2)17-12-19-18(9-4-5-10-18)13-20(17)16-8-6-7-15(3)11-16/h6-8,11,14,17,19H,4-5,9-10,12-13H2,1-3H3
InChIKeyWHFRYLDIJLAAGV-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64931469
9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79046276
9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64875834
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
4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934711
9-(1-methylpyrazol-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79785950
9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64948555
2-methyl-1-(3-methylphenyl)-5-propan-2-ylpiperazine
CID 64952301
4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64931877
3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64932241
5,5-dimethyl-1-naphthalen-2-yl-2-propan-2-ylpiperazine
CID 64945583

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64932826) is 9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is Cc1cccc(N2CC3(CCCC3)NCC2C(C)C)c1.
What is the InChIKey of 9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is WHFRYLDIJLAAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)17-12-19-18(9-4-5-10-18)13-20(17)16-8-6-7-15(3)11-16/h6-8,11,14,17,19H,4-5,9-10,12-13H2,1-3H3.
What are the key properties of 9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 272.44 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64932826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).