3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine

C15H30N2O2 — CID 114466544

IUPAC3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine
SMILESC=C(C)COCCNC1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C15H30N2O2/c1-12(2)9-18-8-7-17-15(11-16)10-13(3,4)19-14(15,5)6/h17H,1,7-11,16H2,2-6H3
InChIKeyUWQZGEZTZRUZPZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.84
Rot. Bonds7

About 3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine

3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine (PubChem CID 114466544) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine
PubChem CID114466544
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine
SMILESC=C(C)COCCNC1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C15H30N2O2/c1-12(2)9-18-8-7-17-15(11-16)10-13(3,4)19-14(15,5)6/h17H,1,7-11,16H2,2-6H3
InChIKeyUWQZGEZTZRUZPZ-UHFFFAOYSA-N
XLogP1.84
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine
CID 79927429
3-(aminomethyl)-N-(2-methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79927952
4-methoxy-4-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 106675828
2-cyclopropyl-3-methoxy-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
CID 113589235
3-(aminomethyl)-N-(2-methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 113726341
4-(aminomethyl)-2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466181
2-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(oxolan-3-yl)propane-1,2-diamine
CID 114466189
4-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466228
4-(aminomethyl)-2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466230
4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466231
4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]oxepan-4-amine
CID 114466235
4-(aminomethyl)-2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466303

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine (CID 114466544) is 3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine is C=C(C)COCCNC1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine?
The InChIKey is UWQZGEZTZRUZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)9-18-8-7-17-15(11-16)10-13(3,4)19-14(15,5)6/h17H,1,7-11,16H2,2-6H3.
What are the key properties of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine?
3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine has a molecular weight of 270.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,2,5,5-tetramethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine is sourced from PubChem (CID 114466544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).