2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine

C14H21N3 — CID 172578285

IUPAC2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine
SMILESCc1cc(N)ccc1NC1CC2(C1)CN(C)C2
InChIInChI=1S/C14H21N3/c1-10-5-11(15)3-4-13(10)16-12-6-14(7-12)8-17(2)9-14/h3-5,12,16H,6-9,15H2,1-2H3
InChIKeyUBVIDZXEEJDBEH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.08
Rot. Bonds2

About 2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine

2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine (PubChem CID 172578285) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine
PubChem CID172578285
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine
SMILESCc1cc(N)ccc1NC1CC2(C1)CN(C)C2
InChIInChI=1S/C14H21N3/c1-10-5-11(15)3-4-13(10)16-12-6-14(7-12)8-17(2)9-14/h3-5,12,16H,6-9,15H2,1-2H3
InChIKeyUBVIDZXEEJDBEH-UHFFFAOYSA-N
XLogP2.08
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine?
The IUPAC name of 2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine (CID 172578285) is 2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine?
The canonical SMILES for 2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine is Cc1cc(N)ccc1NC1CC2(C1)CN(C)C2.
What is the InChIKey of 2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine?
The InChIKey is UBVIDZXEEJDBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10-5-11(15)3-4-13(10)16-12-6-14(7-12)8-17(2)9-14/h3-5,12,16H,6-9,15H2,1-2H3.
What are the key properties of 2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine?
2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(2-methyl-2-azaspiro[3.3]heptan-6-yl)benzene-1,4-diamine is sourced from PubChem (CID 172578285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).