3-butyl-3-methylazetidine;ethane

C10H23N — CID 145389820

IUPAC3-butyl-3-methylazetidine;ethane
SMILESCC.CCCCC1(C)CNC1
InChIInChI=1S/C8H17N.C2H6/c1-3-4-5-8(2)6-9-7-8;1-2/h9H,3-7H2,1-2H3;1-2H3
InChIKeyIHQUXLVJHMPJPL-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.81
Rot. Bonds3

About 3-butyl-3-methylazetidine;ethane

3-butyl-3-methylazetidine;ethane (PubChem CID 145389820) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 3-butyl-3-methylazetidine;ethane.

Molecular Properties

Compound Name3-butyl-3-methylazetidine;ethane
PubChem CID145389820
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name3-butyl-3-methylazetidine;ethane
SMILESCC.CCCCC1(C)CNC1
InChIInChI=1S/C8H17N.C2H6/c1-3-4-5-8(2)6-9-7-8;1-2/h9H,3-7H2,1-2H3;1-2H3
InChIKeyIHQUXLVJHMPJPL-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-butyl-3-methylpyrrolidine;ethane;propane
CID 171834249
3-butyl-3-fluoroazetidine
CID 112563312
3-(4,4-dimethylpentyl)-3-methylazetidine
CID 176961474
1-butyl-1,3,3-trimethylcyclobutane
CID 91249753
1-methyl-1-pentylcyclopropane
CID 524644
6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole
CID 142638690
3-butyl-3-fluoropyrrolidine
CID 112564219
3-methyl-3-propylpyrrolidine
CID 22393542
3-butyl-3-methylcyclobutan-1-ol
CID 123195778
(3S)-3-methyl-3-propylpyrrolidine
CID 94411768
N-ethyl-2-(3-methylazetidin-3-yl)ethanamine;molecular hydrogen;propane
CID 166533180
3-decyl-3-ethylazetidine
CID 79451957

Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-methylazetidine;ethane?
The IUPAC name of 3-butyl-3-methylazetidine;ethane (CID 145389820) is 3-butyl-3-methylazetidine;ethane.
What is the SMILES notation for 3-butyl-3-methylazetidine;ethane?
The canonical SMILES for 3-butyl-3-methylazetidine;ethane is CC.CCCCC1(C)CNC1.
What is the InChIKey of 3-butyl-3-methylazetidine;ethane?
The InChIKey is IHQUXLVJHMPJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H6/c1-3-4-5-8(2)6-9-7-8;1-2/h9H,3-7H2,1-2H3;1-2H3.
What are the key properties of 3-butyl-3-methylazetidine;ethane?
3-butyl-3-methylazetidine;ethane has a molecular weight of 157.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-methylazetidine;ethane is sourced from PubChem (CID 145389820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).