1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine

C16H21N3 — CID 91283397

IUPAC1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine
SMILES[H]/N=C(\C)Cn1c2c(c3c1=CC=CCC=3)CN(C)CC2
InChIInChI=1S/C16H21N3/c1-12(17)10-19-15-7-5-3-4-6-13(15)14-11-18(2)9-8-16(14)19/h3,5-7,17H,4,8-11H2,1-2H3/b17-12+
InChIKeyBXYFEVHWOHHYKS-SFQUDFHCSA-N
MW255.36 g/mol
LogP1.04
Rot. Bonds2

About 1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine

1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine (PubChem CID 91283397) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine.

Molecular Properties

Compound Name1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine
PubChem CID91283397
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine
SMILES[H]/N=C(\C)Cn1c2c(c3c1=CC=CCC=3)CN(C)CC2
InChIInChI=1S/C16H21N3/c1-12(17)10-19-15-7-5-3-4-6-13(15)14-11-18(2)9-8-16(14)19/h3,5-7,17H,4,8-11H2,1-2H3/b17-12+
InChIKeyBXYFEVHWOHHYKS-SFQUDFHCSA-N
XLogP1.04
TPSA32.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine 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 1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine?
The IUPAC name of 1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine (CID 91283397) is 1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine.
What is the SMILES notation for 1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine?
The canonical SMILES for 1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine is [H]/N=C(\C)Cn1c2c(c3c1=CC=CCC=3)CN(C)CC2.
What is the InChIKey of 1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine?
The InChIKey is BXYFEVHWOHHYKS-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(17)10-19-15-7-5-3-4-6-13(15)14-11-18(2)9-8-16(14)19/h3,5-7,17H,4,8-11H2,1-2H3/b17-12+.
What are the key properties of 1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine?
1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine has a molecular weight of 255.36 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-4,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2(7),9,11-tetraen-8-yl)propan-2-imine is sourced from PubChem (CID 91283397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).