5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine

C8H16N2 — CID 174308950

IUPAC5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine
SMILESCNC1(NC)CC2(CC2)C1
InChIInChI=1S/C8H16N2/c1-9-8(10-2)5-7(6-8)3-4-7/h9-10H,3-6H2,1-2H3
InChIKeyKHZWWULEOSHLHO-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.70
Rot. Bonds2

About 5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine

5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine (PubChem CID 174308950) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine.

Molecular Properties

Compound Name5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine
PubChem CID174308950
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine
SMILESCNC1(NC)CC2(CC2)C1
InChIInChI=1S/C8H16N2/c1-9-8(10-2)5-7(6-8)3-4-7/h9-10H,3-6H2,1-2H3
InChIKeyKHZWWULEOSHLHO-UHFFFAOYSA-N
XLogP0.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N'-dimethylpiperidine-4,4-diamine
CID 91177983
(5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane
CID 140892136
1-methyl-2-(1-methylcyclopropyl)hydrazine
CID 123432267
dispiro[2.1.45.23]undecane
CID 123654868
1-N,3-N,1,3-tetramethylcyclobutane-1,3-diamine
CID 142585544
spiro[2.4]heptane
CID 12657448
2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid
CID 114820838
dispiro[2.2.46.23]dodecane
CID 123747481
1-N'-methylcyclooctane-1,1-diamine
CID 70269680
N,3,9-trimethyl-3-azaspiro[5.5]undecan-9-amine
CID 91128574
N-methyl-1-propan-2-ylcyclopentan-1-amine
CID 89010863
1-N,1-N',2-N-trimethyl-2-N'-silylcyclohexane-1,1,2,2-tetramine
CID 123155717

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine?
The IUPAC name of 5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine (CID 174308950) is 5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine.
What is the SMILES notation for 5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine?
The canonical SMILES for 5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine is CNC1(NC)CC2(CC2)C1.
What is the InChIKey of 5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine?
The InChIKey is KHZWWULEOSHLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-9-8(10-2)5-7(6-8)3-4-7/h9-10H,3-6H2,1-2H3.
What are the key properties of 5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine?
5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N'-dimethylspiro[2.3]hexane-5,5-diamine is sourced from PubChem (CID 174308950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).