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

C14H26N2O — CID 62391301

IUPACN-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1(CNC)CCOCC1
InChIInChI=1S/C14H26N2O/c1-4-8-16(9-5-2)13-14(12-15-3)6-10-17-11-7-14/h4-5,15H,1-2,6-13H2,3H3
InChIKeyHOTMHLSTNXFULX-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.68
Rot. Bonds8

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

N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 62391301) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID62391301
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1(CNC)CCOCC1
InChIInChI=1S/C14H26N2O/c1-4-8-16(9-5-2)13-14(12-15-3)6-10-17-11-7-14/h4-5,15H,1-2,6-13H2,3H3
InChIKeyHOTMHLSTNXFULX-UHFFFAOYSA-N
XLogP1.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.68
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

CID 62384936
CID 62384936
CID 55065945
CID 55065945
CID 55065992
CID 55065992
CID 55066572
CID 55066572
CID 55243012
CID 55243012
CID 62262394
CID 62262394
CID 62390241
CID 62390241
CID 62390242
CID 62390242
CID 62390405
CID 62390405
CID 62390422
CID 62390422
CID 62390952
CID 62390952
CID 62390953
CID 62390953

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 62391301) is N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CC1(CNC)CCOCC1.
What is the InChIKey of N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is HOTMHLSTNXFULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-8-16(9-5-2)13-14(12-15-3)6-10-17-11-7-14/h4-5,15H,1-2,6-13H2,3H3.
What are the key properties of N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 238.37 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 62391301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).