N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine

C13H26N2O — CID 115440019

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)CC1(CN)CCOCC1
InChIInChI=1S/C13H26N2O/c1-4-15(9-12(2)3)11-13(10-14)5-7-16-8-6-13/h2,4-11,14H2,1,3H3
InChIKeyWNFVAFKPHYEGAJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.64
Rot. Bonds6

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

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 115440019) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID115440019
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)CC1(CN)CCOCC1
InChIInChI=1S/C13H26N2O/c1-4-15(9-12(2)3)11-13(10-14)5-7-16-8-6-13/h2,4-11,14H2,1,3H3
InChIKeyWNFVAFKPHYEGAJ-UHFFFAOYSA-N
XLogP1.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine
CID 62391508
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 62262051
N-ethyl-2-methyl-N-[(4-propylpiperidin-4-yl)methyl]prop-2-en-1-amine
CID 63129387
4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
CID 114953654
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 62391316
7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947199
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62392039
4-[[2-(aminomethyl)prop-2-enyl-methylamino]methyl]oxan-4-ol
CID 103071417
1-[2-[ethyl(2-methylprop-2-enyl)amino]ethyl]cyclohexan-1-amine
CID 64679085
N-ethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine
CID 62392172
N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994374
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine
CID 62262847

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine (CID 115440019) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)CN(CC)CC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is WNFVAFKPHYEGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-15(9-12(2)3)11-13(10-14)5-7-16-8-6-13/h2,4-11,14H2,1,3H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 115440019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).