N,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine

C10H16N2 — CID 123630944

IUPACN,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine
SMILESCNC1(C)CC=CCC12N=C2C
InChIInChI=1S/C10H16N2/c1-8-10(12-8)7-5-4-6-9(10,2)11-3/h4-5,11H,6-7H2,1-3H3
InChIKeyLMHBKASNEYVHJZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.53
Rot. Bonds1

About N,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine

N,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine (PubChem CID 123630944) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine.

Molecular Properties

Compound NameN,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine
PubChem CID123630944
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine
SMILESCNC1(C)CC=CCC12N=C2C
InChIInChI=1S/C10H16N2/c1-8-10(12-8)7-5-4-6-9(10,2)11-3/h4-5,11H,6-7H2,1-3H3
InChIKeyLMHBKASNEYVHJZ-UHFFFAOYSA-N
XLogP1.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine?
The IUPAC name of N,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine (CID 123630944) is N,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine.
What is the SMILES notation for N,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine?
The canonical SMILES for N,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine is CNC1(C)CC=CCC12N=C2C.
What is the InChIKey of N,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine?
The InChIKey is LMHBKASNEYVHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-10(12-8)7-5-4-6-9(10,2)11-3/h4-5,11H,6-7H2,1-3H3.
What are the key properties of N,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine?
N,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine has a molecular weight of 164.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-1-azaspiro[2.5]octa-1,6-dien-4-amine is sourced from PubChem (CID 123630944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).