8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane

C18H28N2 — CID 64848019

IUPAC8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)N1CC(Cc2ccccc2)NCC12CCCC2
InChIInChI=1S/C18H28N2/c1-15(2)20-13-17(12-16-8-4-3-5-9-16)19-14-18(20)10-6-7-11-18/h3-5,8-9,15,17,19H,6-7,10-14H2,1-2H3
InChIKeyPZXAVDFZISDNOP-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.22
Rot. Bonds3

About 8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane

8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64848019) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64848019
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)N1CC(Cc2ccccc2)NCC12CCCC2
InChIInChI=1S/C18H28N2/c1-15(2)20-13-17(12-16-8-4-3-5-9-16)19-14-18(20)10-6-7-11-18/h3-5,8-9,15,17,19H,6-7,10-14H2,1-2H3
InChIKeyPZXAVDFZISDNOP-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane
CID 64848789
6-benzyl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848189
5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80697002
6-butan-2-yl-8-propyl-6,9-diazaspiro[4.5]decane
CID 79444829
6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 79445456
2-benzyl-4,4-difluoropyrrolidine;hydrochloride
CID 115039893
5-benzyl-1-butyl-2,2-diethylpiperazine
CID 64850140
3-benzyl-1-(2-methylpropyl)piperazine
CID 64833907
5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64848014
5-benzyl-2-cyclopropyl-1-(cyclopropylmethyl)-2-methylpiperazine
CID 64848984
(2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
CID 102595479
6-benzyl-8-phenyl-6,9-diazaspiro[4.5]decane
CID 64877476

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64848019) is 8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane is CC(C)N1CC(Cc2ccccc2)NCC12CCCC2.
What is the InChIKey of 8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is PZXAVDFZISDNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15(2)20-13-17(12-16-8-4-3-5-9-16)19-14-18(20)10-6-7-11-18/h3-5,8-9,15,17,19H,6-7,10-14H2,1-2H3.
What are the key properties of 8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane?
8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 272.44 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64848019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).