N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

C13H25NO2 — CID 114467171

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCC1CCC(C)(C)O1
InChIInChI=1S/C13H25NO2/c1-11(2)10-15-8-7-14-9-12-5-6-13(3,4)16-12/h12,14H,1,5-10H2,2-4H3
InChIKeyZZCFMWSAYVTHHP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.13
Rot. Bonds7

About N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine (PubChem CID 114467171) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
PubChem CID114467171
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCC1CCC(C)(C)O1
InChIInChI=1S/C13H25NO2/c1-11(2)10-15-8-7-14-9-12-5-6-13(3,4)16-12/h12,14H,1,5-10H2,2-4H3
InChIKeyZZCFMWSAYVTHHP-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 116521038
2-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine
CID 60683635
N-(oxolan-2-ylmethyl)-2-prop-2-enoxyethanamine
CID 62571446
N-(oxolan-2-ylmethyl)-2-prop-2-enoxypropan-1-amine
CID 62573142
2-methyl-N-[(2-methyloxolan-2-yl)methyl]prop-2-en-1-amine
CID 80171188
N-[(2-methyloxolan-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 80171296
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methoxypropan-1-amine
CID 102698062
2-(2-methylprop-2-enoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897907
2-methoxy-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 104167202
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104668698
N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methoxypentan-1-amine
CID 105934679
2-but-3-enoxy-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 106401791

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine (CID 114467171) is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine is C=C(C)COCCNCC1CCC(C)(C)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The InChIKey is ZZCFMWSAYVTHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)10-15-8-7-14-9-12-5-6-13(3,4)16-12/h12,14H,1,5-10H2,2-4H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine has a molecular weight of 227.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine is sourced from PubChem (CID 114467171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).