5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline

C14H20N2 — CID 104757870

IUPAC5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline
SMILESCc1cc(C)c(N2CC3(CCC3)C2)cc1N
InChIInChI=1S/C14H20N2/c1-10-6-11(2)13(7-12(10)15)16-8-14(9-16)4-3-5-14/h6-7H,3-5,8-9,15H2,1-2H3
InChIKeyKYCMIHUIOMFYBF-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.88
Rot. Bonds1

About 5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline

5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline (PubChem CID 104757870) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline.

Molecular Properties

Compound Name5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline
PubChem CID104757870
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline
SMILESCc1cc(C)c(N2CC3(CCC3)C2)cc1N
InChIInChI=1S/C14H20N2/c1-10-6-11(2)13(7-12(10)15)16-8-14(9-16)4-3-5-14/h6-7H,3-5,8-9,15H2,1-2H3
InChIKeyKYCMIHUIOMFYBF-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline
CID 112557833
2-(2-azaspiro[3.3]heptan-2-yl)-5-methylaniline
CID 79688985
2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane
CID 107592764
2,5-dimethyl-4-pyrrolidin-1-ylaniline
CID 30029920
2,4-dimethyl-5-piperazin-1-ylaniline
CID 4738791
[3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine
CID 79687008
2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane
CID 104724350
2-(2-azaspiro[3.6]decan-2-yl)aniline
CID 79678213
4-(2-azaspiro[3.6]decan-2-yl)-3-bromoaniline
CID 79688898
5-(5-iodo-2-methylphenyl)-5-azaspiro[2.3]hexane
CID 130498028
3-(2-azaspiro[3.6]decan-2-yl)-4-methylbenzoic acid
CID 79686719
3-(2-azaspiro[3.4]octan-2-yl)-4-chloroaniline
CID 79688418

Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline?
The IUPAC name of 5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline (CID 104757870) is 5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline.
What is the SMILES notation for 5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline?
The canonical SMILES for 5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline is Cc1cc(C)c(N2CC3(CCC3)C2)cc1N.
What is the InChIKey of 5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline?
The InChIKey is KYCMIHUIOMFYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-6-11(2)13(7-12(10)15)16-8-14(9-16)4-3-5-14/h6-7H,3-5,8-9,15H2,1-2H3.
What are the key properties of 5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline?
5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline has a molecular weight of 216.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[3.3]heptan-2-yl)-2,4-dimethylaniline is sourced from PubChem (CID 104757870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).