4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine

C15H30N2O2 — CID 114466160

IUPAC4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine
SMILESC=C(C)COCCNC1(CN)CCOC(C(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-12(2)10-18-8-6-17-15(11-16)5-7-19-14(9-15)13(3)4/h13-14,17H,1,5-11,16H2,2-4H3
InChIKeyCINZNFWGDRLTDP-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.70
Rot. Bonds8

About 4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine

4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine (PubChem CID 114466160) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine
PubChem CID114466160
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine
SMILESC=C(C)COCCNC1(CN)CCOC(C(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-12(2)10-18-8-6-17-15(11-16)5-7-19-14(9-15)13(3)4/h13-14,17H,1,5-11,16H2,2-4H3
InChIKeyCINZNFWGDRLTDP-UHFFFAOYSA-N
XLogP1.70
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-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

4-(aminomethyl)-N-(2-methoxyethyl)-2-propyloxan-4-amine
CID 64107438
4-(aminomethyl)-N-(2-methoxyethyl)-2-propan-2-yloxan-4-amine
CID 64107441
4-(aminomethyl)-2-ethyl-N-(2-methoxyethyl)oxan-4-amine
CID 64110493
4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine
CID 102697130
4-(aminomethyl)-N-(2-methoxypropyl)-2-propan-2-yloxan-4-amine
CID 102697372
1-(aminomethyl)-3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 106872774
4-(aminomethyl)-N-(2-methoxypropyl)-2-propyloxan-4-amine
CID 113726346
1-(aminomethyl)-2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 113887470
4-(aminomethyl)-2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466181
4-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466228
4-(aminomethyl)-2-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466230
4-(aminomethyl)-2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466231

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine (CID 114466160) is 4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine is C=C(C)COCCNC1(CN)CCOC(C(C)C)C1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine?
The InChIKey is CINZNFWGDRLTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)10-18-8-6-17-15(11-16)5-7-19-14(9-15)13(3)4/h13-14,17H,1,5-11,16H2,2-4H3.
What are the key properties of 4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine?
4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine has a molecular weight of 270.42 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 114466160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).