(2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane

C17H26N2 — CID 102595479

IUPAC(2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
SMILESCN1C[C@H](Cc2ccccc2)NC2(CCCCC2)C1
InChIInChI=1S/C17H26N2/c1-19-13-16(12-15-8-4-2-5-9-15)18-17(14-19)10-6-3-7-11-17/h2,4-5,8-9,16,18H,3,6-7,10-14H2,1H3/t16-/m0/s1
InChIKeyQXIWKGAYBIJQSI-INIZCTEOSA-N
MW258.41 g/mol
LogP2.84
Rot. Bonds2

About (2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane

(2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 102595479) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID102595479
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
SMILESCN1C[C@H](Cc2ccccc2)NC2(CCCCC2)C1
InChIInChI=1S/C17H26N2/c1-19-13-16(12-15-8-4-2-5-9-15)18-17(14-19)10-6-3-7-11-17/h2,4-5,8-9,16,18H,3,6-7,10-14H2,1H3/t16-/m0/s1
InChIKeyQXIWKGAYBIJQSI-INIZCTEOSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
CID 64878204
7-benzyl-9-oxa-6-azaspiro[4.5]decane
CID 56766379
3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane
CID 64848789
8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one
CID 91595061
3-benzyl-4-ethyl-1,4-diazaspiro[5.5]undecane
CID 64877822
8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64848019
8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane
CID 80696882
(2R)-2-benzyl-1-methylaziridine
CID 87174257
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489
3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane
CID 64878013
1-benzyl-3a-fluoro-5-methyl-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
CID 19100960
5-benzyl-1-methylpiperazin-2-one
CID 44630649

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of (2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane (CID 102595479) is (2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for (2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for (2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane is CN1C[C@H](Cc2ccccc2)NC2(CCCCC2)C1.
What is the InChIKey of (2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is QXIWKGAYBIJQSI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2/c1-19-13-16(12-15-8-4-2-5-9-15)18-17(14-19)10-6-3-7-11-17/h2,4-5,8-9,16,18H,3,6-7,10-14H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane?
(2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 258.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 102595479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).