1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane

C15H22N2 — CID 164739201

IUPAC1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane
SMILESCC(C)c1ccc(N2CC3(CCN3C)C2)cc1
InChIInChI=1S/C15H22N2/c1-12(2)13-4-6-14(7-5-13)17-10-15(11-17)8-9-16(15)3/h4-7,12H,8-11H2,1-3H3
InChIKeyDFSZZDXGAHTQNS-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.70
Rot. Bonds2

About 1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane

1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane (PubChem CID 164739201) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane
PubChem CID164739201
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane
SMILESCC(C)c1ccc(N2CC3(CCN3C)C2)cc1
InChIInChI=1S/C15H22N2/c1-12(2)13-4-6-14(7-5-13)17-10-15(11-17)8-9-16(15)3/h4-7,12H,8-11H2,1-3H3
InChIKeyDFSZZDXGAHTQNS-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane?
The IUPAC name of 1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane (CID 164739201) is 1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane?
The canonical SMILES for 1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane is CC(C)c1ccc(N2CC3(CCN3C)C2)cc1.
What is the InChIKey of 1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane?
The InChIKey is DFSZZDXGAHTQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12(2)13-4-6-14(7-5-13)17-10-15(11-17)8-9-16(15)3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane?
1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane has a molecular weight of 230.36 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 164739201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).