9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride

C8H16Cl2N2 — CID 139741164

IUPAC9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride
SMILESC=C1CNCC12CCCN2.Cl.Cl
InChIInChI=1S/C8H14N2.2ClH/c1-7-5-9-6-8(7)3-2-4-10-8;;/h9-10H,1-6H2;2*1H
InChIKeyXMGKNQQWNMXYEO-UHFFFAOYSA-N
MW211.14 g/mol
LogP1.11
Rot. Bonds

About 9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride

9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride (PubChem CID 139741164) has the molecular formula C8H16Cl2N2 and a molecular weight of 211.14 g/mol. Its IUPAC name is 9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride.

Molecular Properties

Compound Name9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride
PubChem CID139741164
Molecular FormulaC8H16Cl2N2
Molecular Weight211.14 g/mol
Exact Mass210.07
IUPAC Name9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride
SMILESC=C1CNCC12CCCN2.Cl.Cl
InChIInChI=1S/C8H14N2.2ClH/c1-7-5-9-6-8(7)3-2-4-10-8;;/h9-10H,1-6H2;2*1H
InChIKeyXMGKNQQWNMXYEO-UHFFFAOYSA-N
XLogP1.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-2,5-diazaspiro[3.4]octan-3-one
CID 97170263
2,5,9-triazaspiro[3.6]decan-10-one;dihydrochloride
CID 162422730
2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide
CID 139379424
1,8-diazaspiro[4.5]decane;dihydrochloride
CID 50999337
(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 96851281
(5S)-10-methyl-1,10-diazaspiro[4.6]undec-8-en-11-one
CID 134842991
1,10-diazaspiro[4.5]decane;dihydrochloride
CID 71741468
2-tert-butyl-2-methylpyrrolidine;hydrochloride
CID 115015040
(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]-4-ol
CID 175046084
5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 46942192
2,2-dimethyl-6-methylidenepiperazine;molecular hydrogen
CID 171086633
(3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 86327550

Frequently Asked Questions

What is the IUPAC name of 9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride?
The IUPAC name of 9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride (CID 139741164) is 9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride.
What is the SMILES notation for 9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride?
The canonical SMILES for 9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride is C=C1CNCC12CCCN2.Cl.Cl.
What is the InChIKey of 9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride?
The InChIKey is XMGKNQQWNMXYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.2ClH/c1-7-5-9-6-8(7)3-2-4-10-8;;/h9-10H,1-6H2;2*1H.
What are the key properties of 9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride?
9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride has a molecular weight of 211.14 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylidene-1,7-diazaspiro[4.4]nonane;dihydrochloride is sourced from PubChem (CID 139741164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).