1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine

C51H107N5 — CID 157370694

IUPAC1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1
InChIInChI=1S/2C11H23N.2C10H21N.C9H19N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-10(6-9)8(3)4/h2*9-11H,5-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyBJSNMXOYDJFPGF-UHFFFAOYSA-N
MW790.45 g/mol
LogP12.40
Rot. Bonds10

About 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine

1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine (PubChem CID 157370694) has the molecular formula C51H107N5 and a molecular weight of 790.45 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine
PubChem CID157370694
Molecular FormulaC51H107N5
Molecular Weight790.45 g/mol
Exact Mass789.85
IUPAC Name1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1
InChIInChI=1S/2C11H23N.2C10H21N.C9H19N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-10(6-9)8(3)4/h2*9-11H,5-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyBJSNMXOYDJFPGF-UHFFFAOYSA-N
XLogP12.40
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.45
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine?
The IUPAC name of 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine (CID 157370694) is 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine is CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CN(C(C)C)C1.
What is the InChIKey of 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine?
The InChIKey is BJSNMXOYDJFPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23N.2C10H21N.C9H19N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-5-10(6-9)8(3)4/h2*9-11H,5-8H2,1-4H3;2*8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine?
1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine has a molecular weight of 790.45 g/mol, XLogP of 12.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 157370694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).