N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine

C13H26N2O2 — CID 103339322

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1(CN)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-6-15(7-10-16-2)12-13(11-14)4-8-17-9-5-13/h3H,1,4-12,14H2,2H3
InChIKeyVZONVIYMYPSKRB-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.88
Rot. Bonds8

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine (PubChem CID 103339322) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
PubChem CID103339322
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1(CN)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-6-15(7-10-16-2)12-13(11-14)4-8-17-9-5-13/h3H,1,4-12,14H2,2H3
InChIKeyVZONVIYMYPSKRB-UHFFFAOYSA-N
XLogP0.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 55066623
N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 55067149
N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62390952
N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62390953
N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62390954
N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62391134
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62391300
N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62391301
2-methoxy-N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
CID 62391342
N-[[4-(aminomethyl)oxan-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 62391853
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methoxyethanamine
CID 62392391
N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-methoxy-N-methylethanamine
CID 62392397

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine (CID 103339322) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine is C=CCN(CCOC)CC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine?
The InChIKey is VZONVIYMYPSKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-6-15(7-10-16-2)12-13(11-14)4-8-17-9-5-13/h3H,1,4-12,14H2,2H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine has a molecular weight of 242.36 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine is sourced from PubChem (CID 103339322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).