4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine

C12H24N2O — CID 114616093

IUPAC4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine
SMILESC=C(C)CNC1(CN)CCOC(CC)C1
InChIInChI=1S/C12H24N2O/c1-4-11-7-12(9-13,5-6-15-11)14-8-10(2)3/h11,14H,2,4-9,13H2,1,3H3
InChIKeyFHJFHZHWIIKKAE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.44
Rot. Bonds5

About 4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine

4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine (PubChem CID 114616093) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine
PubChem CID114616093
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine
SMILESC=C(C)CNC1(CN)CCOC(CC)C1
InChIInChI=1S/C12H24N2O/c1-4-11-7-12(9-13,5-6-15-11)14-8-10(2)3/h11,14H,2,4-9,13H2,1,3H3
InChIKeyFHJFHZHWIIKKAE-UHFFFAOYSA-N
XLogP1.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-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

1-(aminomethyl)-3-ethyl-N-(2-methylprop-2-enyl)cyclopentan-1-amine
CID 114616252
4-(aminomethyl)-N-benzyl-2-ethyloxan-4-amine
CID 65384007
N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine
CID 83012158
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine
CID 115406424
4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine
CID 65379219
4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine
CID 65385977
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine
CID 107573083
4-(aminomethyl)-2-propyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378217
2-[2-ethyl-4-(ethylamino)oxan-4-yl]acetamide
CID 65234241
4-(aminomethyl)-N-but-3-ynyl-2-propyloxan-4-amine
CID 116641218
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-2-ethyloxan-4-amine
CID 104776461
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyloxan-4-amine
CID 107619654

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine (CID 114616093) is 4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine is C=C(C)CNC1(CN)CCOC(CC)C1.
What is the InChIKey of 4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine?
The InChIKey is FHJFHZHWIIKKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-11-7-12(9-13,5-6-15-11)14-8-10(2)3/h11,14H,2,4-9,13H2,1,3H3.
What are the key properties of 4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine?
4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine has a molecular weight of 212.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine is sourced from PubChem (CID 114616093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).