N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine

C13H25NO — CID 116521711

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NCC2CCC(C)(C)O2)CCC1
InChIInChI=1S/C13H25NO/c1-4-13(7-5-8-13)14-10-11-6-9-12(2,3)15-11/h11,14H,4-10H2,1-3H3
InChIKeyHUJXGENKXAAGKH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds4

About N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine (PubChem CID 116521711) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
PubChem CID116521711
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NCC2CCC(C)(C)O2)CCC1
InChIInChI=1S/C13H25NO/c1-4-13(7-5-8-13)14-10-11-6-9-12(2,3)15-11/h11,14H,4-10H2,1-3H3
InChIKeyHUJXGENKXAAGKH-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine
CID 116521368
1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 116522769
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine
CID 116521359
1-(5,5-dimethyloxolan-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 104954515
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine
CID 116521499
N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine
CID 116521230
1-(dimethylamino)-3-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropan-2-ol
CID 106147595

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine (CID 116521711) is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine is CCC1(NCC2CCC(C)(C)O2)CCC1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine?
The InChIKey is HUJXGENKXAAGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-13(7-5-8-13)14-10-11-6-9-12(2,3)15-11/h11,14H,4-10H2,1-3H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine is sourced from PubChem (CID 116521711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).