(4S)-1,7-diazaspiro[3.4]octane

C6H12N2 — CID 97135321

IUPAC(4S)-1,7-diazaspiro[3.4]octane
SMILESC1C[C@@]2(CCN2)CN1
InChIInChI=1S/C6H12N2/c1-3-7-5-6(1)2-4-8-6/h7-8H,1-5H2/t6-/m1/s1
InChIKeyJAUHHUMGLNVJQI-ZCFIWIBFSA-N
MW112.18 g/mol
LogP-0.29
Rot. Bonds

About (4S)-1,7-diazaspiro[3.4]octane

(4S)-1,7-diazaspiro[3.4]octane (PubChem CID 97135321) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (4S)-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name(4S)-1,7-diazaspiro[3.4]octane
PubChem CID97135321
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(4S)-1,7-diazaspiro[3.4]octane
SMILESC1C[C@@]2(CCN2)CN1
InChIInChI=1S/C6H12N2/c1-3-7-5-6(1)2-4-8-6/h7-8H,1-5H2/t6-/m1/s1
InChIKeyJAUHHUMGLNVJQI-ZCFIWIBFSA-N
XLogP-0.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1,7-diazaspiro[3.4]octane
CID 97135320
1,7-diazaspiro[3.4]octane;molecular hydrogen;propane
CID 171101355
1,6-diazaspiro[3.3]heptane
CID 21263412
9,9-difluoro-2,6-diazaspiro[4.5]decane
CID 115014678
1,6-diazaspiro[3.3]heptane;dihydrochloride
CID 175669593
cesium;carbanide;4,7-diazaspiro[2.5]octane
CID 168976829
1,4-diazaspiro[5.6]dodecane
CID 51346047
1,7-diazaspiro[3.5]nonane;ethane
CID 168977317
1,8-diazaspiro[3.5]nonane;propane
CID 123647748
2,4,10,13-tetrazadispiro[4.1.57.35]pentadecane
CID 71358690
1,9-diazaspiro[3.7]undecane
CID 118210185
2,6-diazaspiro[4.5]decan-9-one
CID 115011980

Frequently Asked Questions

What is the IUPAC name of (4S)-1,7-diazaspiro[3.4]octane?
The IUPAC name of (4S)-1,7-diazaspiro[3.4]octane (CID 97135321) is (4S)-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for (4S)-1,7-diazaspiro[3.4]octane?
The canonical SMILES for (4S)-1,7-diazaspiro[3.4]octane is C1C[C@@]2(CCN2)CN1.
What is the InChIKey of (4S)-1,7-diazaspiro[3.4]octane?
The InChIKey is JAUHHUMGLNVJQI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-7-5-6(1)2-4-8-6/h7-8H,1-5H2/t6-/m1/s1.
What are the key properties of (4S)-1,7-diazaspiro[3.4]octane?
(4S)-1,7-diazaspiro[3.4]octane has a molecular weight of 112.18 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97135321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).