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

C19H30N2 — CID 64875834

IUPAC9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCc1cccc(CN2CC3(CCCC3)NCC2C(C)C)c1
InChIInChI=1S/C19H30N2/c1-15(2)18-12-20-19(9-4-5-10-19)14-21(18)13-17-8-6-7-16(3)11-17/h6-8,11,15,18,20H,4-5,9-10,12-14H2,1-3H3
InChIKeyDSVRZIFXRCJESI-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.74
Rot. Bonds3

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

9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64875834) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64875834
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCc1cccc(CN2CC3(CCCC3)NCC2C(C)C)c1
InChIInChI=1S/C19H30N2/c1-15(2)18-12-20-19(9-4-5-10-19)14-21(18)13-17-8-6-7-16(3)11-17/h6-8,11,15,18,20H,4-5,9-10,12-14H2,1-3H3
InChIKeyDSVRZIFXRCJESI-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64876545
9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64932826
10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64870965
9-[(5-bromo-3-pyridinyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 104812531
10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869306
3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole
CID 81174386
9-[(5-chlorothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876028
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
4-[2-(furan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64946817
4-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107055928
5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64860604
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64847914

Frequently Asked Questions

What is the IUPAC name of 9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64875834) is 9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is Cc1cccc(CN2CC3(CCCC3)NCC2C(C)C)c1.
What is the InChIKey of 9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is DSVRZIFXRCJESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(2)18-12-20-19(9-4-5-10-19)14-21(18)13-17-8-6-7-16(3)11-17/h6-8,11,15,18,20H,4-5,9-10,12-14H2,1-3H3.
What are the key properties of 9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 286.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64875834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).