1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane

C41H81N — CID 167531805

IUPAC1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane
SMILESCC(C)C12CC(C(C)C)(C1)C2.CC(C)C1CC(C(C)C)C1.CC(C)C1CCC(C(C)C)C1.CC(C)C1CN(C(C)C)C1
InChIInChI=1S/C11H20.C11H22.C10H20.C9H19N/c1-8(2)10-5-11(6-10,7-10)9(3)4;1-8(2)10-5-6-11(7-10)9(3)4;2*1-7(2)9-5-10(6-9)8(3)4/h8-9H,5-7H2,1-4H3;8-11H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyABLXAMOXCQKBQL-UHFFFAOYSA-N
MW588.11 g/mol
LogP12.49
Rot. Bonds8

About 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane

1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane (PubChem CID 167531805) has the molecular formula C41H81N and a molecular weight of 588.11 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane.

Molecular Properties

Compound Name1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane
PubChem CID167531805
Molecular FormulaC41H81N
Molecular Weight588.11 g/mol
Exact Mass587.64
IUPAC Name1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane
SMILESCC(C)C12CC(C(C)C)(C1)C2.CC(C)C1CC(C(C)C)C1.CC(C)C1CCC(C(C)C)C1.CC(C)C1CN(C(C)C)C1
InChIInChI=1S/C11H20.C11H22.C10H20.C9H19N/c1-8(2)10-5-11(6-10,7-10)9(3)4;1-8(2)10-5-6-11(7-10)9(3)4;2*1-7(2)9-5-10(6-9)8(3)4/h8-9H,5-7H2,1-4H3;8-11H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3
InChIKeyABLXAMOXCQKBQL-UHFFFAOYSA-N
XLogP12.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.11
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane with MolForge

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Related Compounds

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CID 134298235
cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane
CID 157078538
3-ethyl-1,5-di(propan-2-yl)piperidine
CID 135137070
2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid
CID 79695810
1-propan-2-yl-3-[3-(3-propan-2-ylazetidin-1-yl)azetidin-1-yl]azetidine
CID 166559631
1,4-di(propan-2-yl)piperidine
CID 21303253
1-(3-propan-2-ylazetidin-1-yl)ethanamine
CID 138747102
3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine
CID 130436525
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);methane
CID 159687749
propan-2-ylcyclopropane;hydroiodide
CID 162314014
(6R)-2,6-di(propan-2-yl)-2-azaspiro[3.4]octane
CID 167272832

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane?
The IUPAC name of 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane (CID 167531805) is 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane.
What is the SMILES notation for 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane?
The canonical SMILES for 1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane is CC(C)C12CC(C(C)C)(C1)C2.CC(C)C1CC(C(C)C)C1.CC(C)C1CCC(C(C)C)C1.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)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane?
The InChIKey is ABLXAMOXCQKBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C11H22.C10H20.C9H19N/c1-8(2)10-5-11(6-10,7-10)9(3)4;1-8(2)10-5-6-11(7-10)9(3)4;2*1-7(2)9-5-10(6-9)8(3)4/h8-9H,5-7H2,1-4H3;8-11H,5-7H2,1-4H3;7-10H,5-6H2,1-4H3;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)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane?
1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane has a molecular weight of 588.11 g/mol, XLogP of 12.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 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)bicyclo[1.1.1]pentane;1,3-di(propan-2-yl)cyclobutane;1,3-di(propan-2-yl)cyclopentane is sourced from PubChem (CID 167531805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).