3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline

C14H21N3 — CID 164873208

IUPAC3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline
SMILESCc1cc(N)cc(C)c1N1CC2(CN(C)C2)C1
InChIInChI=1S/C14H21N3/c1-10-4-12(15)5-11(2)13(10)17-8-14(9-17)6-16(3)7-14/h4-5H,6-9,15H2,1-3H3
InChIKeyLWVAFQSQVYBLLR-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.64
Rot. Bonds1

About 3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline

3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline (PubChem CID 164873208) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline.

Molecular Properties

Compound Name3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline
PubChem CID164873208
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline
SMILESCc1cc(N)cc(C)c1N1CC2(CN(C)C2)C1
InChIInChI=1S/C14H21N3/c1-10-4-12(15)5-11(2)13(10)17-8-14(9-17)6-16(3)7-14/h4-5H,6-9,15H2,1-3H3
InChIKeyLWVAFQSQVYBLLR-UHFFFAOYSA-N
XLogP1.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline?
The IUPAC name of 3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline (CID 164873208) is 3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline.
What is the SMILES notation for 3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline?
The canonical SMILES for 3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline is Cc1cc(N)cc(C)c1N1CC2(CN(C)C2)C1.
What is the InChIKey of 3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline?
The InChIKey is LWVAFQSQVYBLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10-4-12(15)5-11(2)13(10)17-8-14(9-17)6-16(3)7-14/h4-5H,6-9,15H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline?
3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline has a molecular weight of 231.34 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)aniline is sourced from PubChem (CID 164873208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).