2-ethyl-1-propan-2-ylazetidine;propane

C11H25N — CID 163256433

IUPAC2-ethyl-1-propan-2-ylazetidine;propane
SMILESCCC.CCC1CCN1C(C)C
InChIInChI=1S/C8H17N.C3H8/c1-4-8-5-6-9(8)7(2)3;1-3-2/h7-8H,4-6H2,1-3H3;3H2,1-2H3
InChIKeyXNQCFZPYSQJWNW-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.30
Rot. Bonds2

About 2-ethyl-1-propan-2-ylazetidine;propane

2-ethyl-1-propan-2-ylazetidine;propane (PubChem CID 163256433) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2-ethyl-1-propan-2-ylazetidine;propane.

Molecular Properties

Compound Name2-ethyl-1-propan-2-ylazetidine;propane
PubChem CID163256433
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2-ethyl-1-propan-2-ylazetidine;propane
SMILESCCC.CCC1CCN1C(C)C
InChIInChI=1S/C8H17N.C3H8/c1-4-8-5-6-9(8)7(2)3;1-3-2/h7-8H,4-6H2,1-3H3;3H2,1-2H3
InChIKeyXNQCFZPYSQJWNW-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-propan-2-yl-2-propylazetidine
CID 167386397
2-ethyl-4-methyl-1-propan-2-ylpiperidine
CID 171506462
(2R)-2-ethyl-1-propan-2-ylaziridine
CID 59459524
2-ethyl-1-propan-2-ylpiperidine-4-carboxylic acid
CID 54268210
(1-propan-2-ylazetidin-2-yl)methyl hypoiodite
CID 176946794
(2R)-2-ethyl-1-propan-2-ylpiperazine
CID 51627942
2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 174972319
(2R)-2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 141432719
2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine
CID 155088178
(2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291285
(2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine
CID 146374292
(1-propan-2-ylazetidin-2-yl)methyl carbamate
CID 175128148

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-propan-2-ylazetidine;propane?
The IUPAC name of 2-ethyl-1-propan-2-ylazetidine;propane (CID 163256433) is 2-ethyl-1-propan-2-ylazetidine;propane.
What is the SMILES notation for 2-ethyl-1-propan-2-ylazetidine;propane?
The canonical SMILES for 2-ethyl-1-propan-2-ylazetidine;propane is CCC.CCC1CCN1C(C)C.
What is the InChIKey of 2-ethyl-1-propan-2-ylazetidine;propane?
The InChIKey is XNQCFZPYSQJWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C3H8/c1-4-8-5-6-9(8)7(2)3;1-3-2/h7-8H,4-6H2,1-3H3;3H2,1-2H3.
What are the key properties of 2-ethyl-1-propan-2-ylazetidine;propane?
2-ethyl-1-propan-2-ylazetidine;propane has a molecular weight of 171.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-propan-2-ylazetidine;propane is sourced from PubChem (CID 163256433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).