3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine

C11H23N — CID 130436525

IUPAC3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine
SMILESCC(C)C(C)C1CN(C(C)C)C1
InChIInChI=1S/C11H23N/c1-8(2)10(5)11-6-12(7-11)9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyMRKNQWYYTHFQIJ-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.62
Rot. Bonds3

About 3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine

3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine (PubChem CID 130436525) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine
PubChem CID130436525
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine
SMILESCC(C)C(C)C1CN(C(C)C)C1
InChIInChI=1S/C11H23N/c1-8(2)10(5)11-6-12(7-11)9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyMRKNQWYYTHFQIJ-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913
1-propan-2-ylazetidin-3-amine;hydrochloride
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(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
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(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine?
The IUPAC name of 3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine (CID 130436525) is 3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine is CC(C)C(C)C1CN(C(C)C)C1.
What is the InChIKey of 3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine?
The InChIKey is MRKNQWYYTHFQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-8(2)10(5)11-6-12(7-11)9(3)4/h8-11H,6-7H2,1-5H3.
What are the key properties of 3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine?
3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine has a molecular weight of 169.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-yl)-1-propan-2-ylazetidine is sourced from PubChem (CID 130436525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).