1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane

C14H20N2 — CID 177071314

IUPAC1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CC2(CCN2c2ccccc2)C1
InChIInChI=1S/C14H20N2/c1-12(2)15-10-14(11-15)8-9-16(14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyXSDCODQIOXLVAW-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.36
Rot. Bonds2

About 1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane

1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane (PubChem CID 177071314) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane
PubChem CID177071314
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CC2(CCN2c2ccccc2)C1
InChIInChI=1S/C14H20N2/c1-12(2)15-10-14(11-15)8-9-16(14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyXSDCODQIOXLVAW-UHFFFAOYSA-N
XLogP2.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane?
The IUPAC name of 1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane (CID 177071314) is 1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane?
The canonical SMILES for 1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane is CC(C)N1CC2(CCN2c2ccccc2)C1.
What is the InChIKey of 1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane?
The InChIKey is XSDCODQIOXLVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-12(2)15-10-14(11-15)8-9-16(14)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane?
1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane has a molecular weight of 216.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-propan-2-yl-1,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 177071314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).