N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

C15H28N2O — CID 62390952

IUPACN-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1(CNCC)CCOCC1
InChIInChI=1S/C15H28N2O/c1-4-9-17(10-5-2)14-15(13-16-6-3)7-11-18-12-8-15/h4-5,16H,1-2,6-14H2,3H3
InChIKeyMJZNBGOEJYTFGF-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.07
Rot. Bonds9

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

N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 62390952) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID62390952
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1(CNCC)CCOCC1
InChIInChI=1S/C15H28N2O/c1-4-9-17(10-5-2)14-15(13-16-6-3)7-11-18-12-8-15/h4-5,16H,1-2,6-14H2,3H3
InChIKeyMJZNBGOEJYTFGF-UHFFFAOYSA-N
XLogP2.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 62384936
N-[[4-[[bis(prop-2-enyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 55065992
N-methyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-1-amine
CID 55066233
N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066426
N-[[4-[[methyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066572
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 55243012
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62262395
N-[[3-[[bis(prop-2-enyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262396
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]ethanamine
CID 62390241
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62390242
N-ethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
CID 62390405
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62390419

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 62390952) is N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CC1(CNCC)CCOCC1.
What is the InChIKey of N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is MJZNBGOEJYTFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-9-17(10-5-2)14-15(13-16-6-3)7-11-18-12-8-15/h4-5,16H,1-2,6-14H2,3H3.
What are the key properties of N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 62390952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).