(4S)-8-methyl-1,8-diazaspiro[3.5]nonane

C8H16N2 — CID 96839656

IUPAC(4S)-8-methyl-1,8-diazaspiro[3.5]nonane
SMILESCN1CCC[C@]2(CCN2)C1
InChIInChI=1S/C8H16N2/c1-10-6-2-3-8(7-10)4-5-9-8/h9H,2-7H2,1H3/t8-/m0/s1
InChIKeySHBFGCUTOICZDR-QMMMGPOBSA-N
MW140.23 g/mol
LogP0.44
Rot. Bonds

About (4S)-8-methyl-1,8-diazaspiro[3.5]nonane

(4S)-8-methyl-1,8-diazaspiro[3.5]nonane (PubChem CID 96839656) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (4S)-8-methyl-1,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name(4S)-8-methyl-1,8-diazaspiro[3.5]nonane
PubChem CID96839656
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(4S)-8-methyl-1,8-diazaspiro[3.5]nonane
SMILESCN1CCC[C@]2(CCN2)C1
InChIInChI=1S/C8H16N2/c1-10-6-2-3-8(7-10)4-5-9-8/h9H,2-7H2,1H3/t8-/m0/s1
InChIKeySHBFGCUTOICZDR-QMMMGPOBSA-N
XLogP0.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;9-methyl-1,9-diazaspiro[4.5]decane
CID 166075508
ethane;9-methyl-1,9-diazaspiro[3.6]decane
CID 170572198
(5S)-10-methyl-1,10-diazaspiro[4.6]undecane
CID 96850341
8-methyl-1,8-diazaspiro[5.5]undecan-4-ol
CID 82406470
8-methyl-1,8-diazaspiro[3.5]nonan-2-one
CID 169184407
molecular hydrogen;8-propan-2-yl-1,8-diazaspiro[3.5]nonane
CID 170571753
6-methyl-1,6-diazaspiro[2.4]heptane
CID 148820818
1,8-dimethyl-1,8-diazaspiro[5.5]undecane;1-ethyl-8-methyl-1,8-diazaspiro[5.5]undecane;2-methyl-2,6-diazaspiro[4.5]decane;9-methyl-1,9-diazaspiro[4.5]decane;7-methyl-1,7-diazaspiro[4.4]nonane;8-methyl-1,8-diazaspiro[5.5]undecane
CID 167673232
ethane;8-methyl-1,8-diazaspiro[4.5]decane
CID 144717621
2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one
CID 82398724
8-ethyl-1,8-diazaspiro[5.5]undecane
CID 83618601
8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one
CID 84769430

Frequently Asked Questions

What is the IUPAC name of (4S)-8-methyl-1,8-diazaspiro[3.5]nonane?
The IUPAC name of (4S)-8-methyl-1,8-diazaspiro[3.5]nonane (CID 96839656) is (4S)-8-methyl-1,8-diazaspiro[3.5]nonane.
What is the SMILES notation for (4S)-8-methyl-1,8-diazaspiro[3.5]nonane?
The canonical SMILES for (4S)-8-methyl-1,8-diazaspiro[3.5]nonane is CN1CCC[C@]2(CCN2)C1.
What is the InChIKey of (4S)-8-methyl-1,8-diazaspiro[3.5]nonane?
The InChIKey is SHBFGCUTOICZDR-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-6-2-3-8(7-10)4-5-9-8/h9H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-8-methyl-1,8-diazaspiro[3.5]nonane?
(4S)-8-methyl-1,8-diazaspiro[3.5]nonane has a molecular weight of 140.23 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-methyl-1,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 96839656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).