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

C42H89N5 — CID 158830501

IUPAC1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1
InChIInChI=1S/3C9H19N.C8H17N.C7H15N/c3*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/h3*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyIWZDQOMTOQWLGN-UHFFFAOYSA-N
MW664.21 g/mol
LogP9.47
Rot. Bonds10

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

1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine (PubChem CID 158830501) has the molecular formula C42H89N5 and a molecular weight of 664.21 g/mol. Its IUPAC name is 1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
PubChem CID158830501
Molecular FormulaC42H89N5
Molecular Weight664.21 g/mol
Exact Mass663.71
IUPAC Name1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1
InChIInChI=1S/3C9H19N.C8H17N.C7H15N/c3*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/h3*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyIWZDQOMTOQWLGN-UHFFFAOYSA-N
XLogP9.47
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.21
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The IUPAC name of 1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine (CID 158830501) is 1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine is CC(C)CN1CCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.
What is the InChIKey of 1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
The InChIKey is IWZDQOMTOQWLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H19N.C8H17N.C7H15N/c3*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/h3*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;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine?
1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine has a molecular weight of 664.21 g/mol, XLogP of 9.47, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)azetidine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 158830501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).