2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C30H62N4 — CID 161400360

IUPAC2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC2(CCC2)C1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1
InChIInChI=1S/C9H17N.C8H17N.C7H15N.C6H13N/c1-8(2)10-6-9(7-10)4-3-5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyVUDRTTZUMNAFQH-UHFFFAOYSA-N
MW478.85 g/mol
LogP6.35
Rot. Bonds4

About 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 161400360) has the molecular formula C30H62N4 and a molecular weight of 478.85 g/mol. Its IUPAC name is 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID161400360
Molecular FormulaC30H62N4
Molecular Weight478.85 g/mol
Exact Mass478.50
IUPAC Name2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC2(CCC2)C1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1
InChIInChI=1S/C9H17N.C8H17N.C7H15N.C6H13N/c1-8(2)10-6-9(7-10)4-3-5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyVUDRTTZUMNAFQH-UHFFFAOYSA-N
XLogP6.35
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.85
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 161400360) is 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC(C)N1CC2(CCC2)C1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.
What is the InChIKey of 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is VUDRTTZUMNAFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H17N.C7H15N.C6H13N/c1-8(2)10-6-9(7-10)4-3-5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 478.85 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 161400360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).