6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine

C98H204N10O — CID 163946912

IUPAC6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
SMILESCC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCNC(C(C)(C)C)C1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)C1CN(C(C)(C)C)CCO1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CC2CC(C1)N2C(C)(C)C
InChIInChI=1S/3C13H27N.C12H24N2.C12H26N2.C12H25NO.C12H25N.C11H23N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-9(2)13-7-10-6-11(8-13)14(10)12(3,4)5;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-9-13(7-8-14-10)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h11H,7-10H2,1-6H3;10-11,14H,7-9H2,1-6H3;11H,7-10H2,1-6H3;9-11H,6-8H2,1-5H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;10H,7-9H2,1-6H3;9H,7-8H2,1-6H3
InChIKeyRVXBYWHTOGCOIR-UHFFFAOYSA-N
MW1538.78 g/mol
LogP23.13
Rot. Bonds1

About 6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine

6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine (PubChem CID 163946912) has the molecular formula C98H204N10O and a molecular weight of 1538.78 g/mol. Its IUPAC name is 6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine.

Molecular Properties

Compound Name6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
PubChem CID163946912
Molecular FormulaC98H204N10O
Molecular Weight1538.78 g/mol
Exact Mass1537.62
IUPAC Name6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
SMILESCC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCNC(C(C)(C)C)C1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)C1CN(C(C)(C)C)CCO1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CC2CC(C1)N2C(C)(C)C
InChIInChI=1S/3C13H27N.C12H24N2.C12H26N2.C12H25NO.C12H25N.C11H23N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-9(2)13-7-10-6-11(8-13)14(10)12(3,4)5;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-9-13(7-8-14-10)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h11H,7-10H2,1-6H3;10-11,14H,7-9H2,1-6H3;11H,7-10H2,1-6H3;9-11H,6-8H2,1-5H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;10H,7-9H2,1-6H3;9H,7-8H2,1-6H3
InChIKeyRVXBYWHTOGCOIR-UHFFFAOYSA-N
XLogP23.13
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001538.78
LogP ≤ 523.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?
The IUPAC name of 6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine (CID 163946912) is 6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine.
What is the SMILES notation for 6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?
The canonical SMILES for 6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine is CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCNC(C(C)(C)C)C1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)C1CN(C(C)(C)C)CCO1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CC2CC(C1)N2C(C)(C)C.
What is the InChIKey of 6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?
The InChIKey is RVXBYWHTOGCOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H27N.C12H24N2.C12H26N2.C12H25NO.C12H25N.C11H23N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-9(2)13-7-10-6-11(8-13)14(10)12(3,4)5;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-9-13(7-8-14-10)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h11H,7-10H2,1-6H3;10-11,14H,7-9H2,1-6H3;11H,7-10H2,1-6H3;9-11H,6-8H2,1-5H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;10H,7-9H2,1-6H3;9H,7-8H2,1-6H3.
What are the key properties of 6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?
6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine has a molecular weight of 1538.78 g/mol, XLogP of 23.13, 1 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;1,3-ditert-butylazetidine;2,4-ditert-butylmorpholine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;2,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine is sourced from PubChem (CID 163946912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).