methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane

C14H31N — CID 159611359

IUPACmethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane
SMILESC.CC(C)C1CCC1.CC(C)C1CCN1
InChIInChI=1S/C7H14.C6H13N.CH4/c1-6(2)7-4-3-5-7;1-5(2)6-3-4-7-6;/h6-7H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;1H4
InChIKeyMMSQFCMSPFXHHK-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.08
Rot. Bonds2

About methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane

methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane (PubChem CID 159611359) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane.

Molecular Properties

Compound Namemethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane
PubChem CID159611359
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Namemethane;2-propan-2-ylazetidine;propan-2-ylcyclobutane
SMILESC.CC(C)C1CCC1.CC(C)C1CCN1
InChIInChI=1S/C7H14.C6H13N.CH4/c1-6(2)7-4-3-5-7;1-5(2)6-3-4-7-6;/h6-7H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;1H4
InChIKeyMMSQFCMSPFXHHK-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R)-2-propan-2-ylazepane
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4-fluoro-2-propan-2-ylpiperidine
CID 84762912
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
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CID 96733113

Frequently Asked Questions

What is the IUPAC name of methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane?
The IUPAC name of methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane (CID 159611359) is methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane.
What is the SMILES notation for methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane?
The canonical SMILES for methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane is C.CC(C)C1CCC1.CC(C)C1CCN1.
What is the InChIKey of methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane?
The InChIKey is MMSQFCMSPFXHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H13N.CH4/c1-6(2)7-4-3-5-7;1-5(2)6-3-4-7-6;/h6-7H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;1H4.
What are the key properties of methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane?
methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane has a molecular weight of 213.41 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane is sourced from PubChem (CID 159611359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).