6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde

C16H22N4O2 — CID 153387213

IUPAC6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde
SMILESC=CCC1COc2cc(C(C)N)cc3nc(NC)n1c23.C=O
InChIInChI=1S/C15H20N4O.CH2O/c1-4-5-11-8-20-13-7-10(9(2)16)6-12-14(13)19(11)15(17-3)18-12;1-2/h4,6-7,9,11H,1,5,8,16H2,2-3H3,(H,17,18);1H2
InChIKeyUTLBMJMMWIGSRA-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.42
Rot. Bonds4

About 6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde

6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde (PubChem CID 153387213) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde.

Molecular Properties

Compound Name6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde
PubChem CID153387213
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde
SMILESC=CCC1COc2cc(C(C)N)cc3nc(NC)n1c23.C=O
InChIInChI=1S/C15H20N4O.CH2O/c1-4-5-11-8-20-13-7-10(9(2)16)6-12-14(13)19(11)15(17-3)18-12;1-2/h4,6-7,9,11H,1,5,8,16H2,2-3H3,(H,17,18);1H2
InChIKeyUTLBMJMMWIGSRA-UHFFFAOYSA-N
XLogP2.42
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde?
The IUPAC name of 6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde (CID 153387213) is 6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde.
What is the SMILES notation for 6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde?
The canonical SMILES for 6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde is C=CCC1COc2cc(C(C)N)cc3nc(NC)n1c23.C=O.
What is the InChIKey of 6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde?
The InChIKey is UTLBMJMMWIGSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.CH2O/c1-4-5-11-8-20-13-7-10(9(2)16)6-12-14(13)19(11)15(17-3)18-12;1-2/h4,6-7,9,11H,1,5,8,16H2,2-3H3,(H,17,18);1H2.
What are the key properties of 6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde?
6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde has a molecular weight of 302.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-N-methyl-11-prop-2-enyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-amine;formaldehyde is sourced from PubChem (CID 153387213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).