1,7-diazaspiro[3.4]octane;molecular hydrogen;propane

C9H22N2 — CID 171101355

IUPAC1,7-diazaspiro[3.4]octane;molecular hydrogen;propane
SMILESC1CC2(CCN2)CN1.CCC.[H][H]
InChIInChI=1S/C6H12N2.C3H8.H2/c1-3-7-5-6(1)2-4-8-6;1-3-2;/h7-8H,1-5H2;3H2,1-2H3;1H
InChIKeyRXLXTYHIGNUMFD-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.37
Rot. Bonds

About 1,7-diazaspiro[3.4]octane;molecular hydrogen;propane

1,7-diazaspiro[3.4]octane;molecular hydrogen;propane (PubChem CID 171101355) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1,7-diazaspiro[3.4]octane;molecular hydrogen;propane.

Molecular Properties

Compound Name1,7-diazaspiro[3.4]octane;molecular hydrogen;propane
PubChem CID171101355
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1,7-diazaspiro[3.4]octane;molecular hydrogen;propane
SMILESC1CC2(CCN2)CN1.CCC.[H][H]
InChIInChI=1S/C6H12N2.C3H8.H2/c1-3-7-5-6(1)2-4-8-6;1-3-2;/h7-8H,1-5H2;3H2,1-2H3;1H
InChIKeyRXLXTYHIGNUMFD-UHFFFAOYSA-N
XLogP1.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1,7-diazaspiro[3.4]octane
CID 97135320
(4S)-1,7-diazaspiro[3.4]octane
CID 97135321
1,8-diazaspiro[3.5]nonane;propane
CID 123647748
1,7-diazaspiro[3.5]nonane;ethane
CID 168977317
1,6-diazaspiro[3.3]heptane
CID 21263412
1-azaspiro[2.6]nonane;propane
CID 171101466
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
2,7-diazaspiro[3.4]octane;propane
CID 177136819
2,4,10,13-tetrazadispiro[4.1.57.35]pentadecane
CID 71358690

Frequently Asked Questions

What is the IUPAC name of 1,7-diazaspiro[3.4]octane;molecular hydrogen;propane?
The IUPAC name of 1,7-diazaspiro[3.4]octane;molecular hydrogen;propane (CID 171101355) is 1,7-diazaspiro[3.4]octane;molecular hydrogen;propane.
What is the SMILES notation for 1,7-diazaspiro[3.4]octane;molecular hydrogen;propane?
The canonical SMILES for 1,7-diazaspiro[3.4]octane;molecular hydrogen;propane is C1CC2(CCN2)CN1.CCC.[H][H].
What is the InChIKey of 1,7-diazaspiro[3.4]octane;molecular hydrogen;propane?
The InChIKey is RXLXTYHIGNUMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C3H8.H2/c1-3-7-5-6(1)2-4-8-6;1-3-2;/h7-8H,1-5H2;3H2,1-2H3;1H.
What are the key properties of 1,7-diazaspiro[3.4]octane;molecular hydrogen;propane?
1,7-diazaspiro[3.4]octane;molecular hydrogen;propane has a molecular weight of 158.29 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazaspiro[3.4]octane;molecular hydrogen;propane is sourced from PubChem (CID 171101355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).