1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine

C33H70N4 — CID 159373450

IUPAC1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1
InChIInChI=1S/2C9H19N.C8H17N.C7H15N/c2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-7(2)6-8-4-3-5-8/h2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyLKAGWNKQVSAZTR-UHFFFAOYSA-N
MW522.95 g/mol
LogP7.34
Rot. Bonds8

About 1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine

1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine (PubChem CID 159373450) has the molecular formula C33H70N4 and a molecular weight of 522.95 g/mol. Its IUPAC name is 1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
PubChem CID159373450
Molecular FormulaC33H70N4
Molecular Weight522.95 g/mol
Exact Mass522.56
IUPAC Name1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1
InChIInChI=1S/2C9H19N.C8H17N.C7H15N/c2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-7(2)6-8-4-3-5-8/h2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyLKAGWNKQVSAZTR-UHFFFAOYSA-N
XLogP7.34
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.95
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The IUPAC name of 1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine (CID 159373450) is 1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine is CC(C)CN1CCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.
What is the InChIKey of 1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The InChIKey is LKAGWNKQVSAZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19N.C8H17N.C7H15N/c2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-7(2)6-8-4-3-5-8/h2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine has a molecular weight of 522.95 g/mol, XLogP of 7.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 159373450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).