N-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine

C18H21N7O — CID 71450242

IUPACN-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
SMILESCn1cc2c(nc(NC3CCCCCC3)n3nc(-c4ccco4)nc23)n1
InChIInChI=1S/C18H21N7O/c1-24-11-13-15(22-24)21-18(19-12-7-4-2-3-5-8-12)25-17(13)20-16(23-25)14-9-6-10-26-14/h6,9-12H,2-5,7-8H2,1H3,(H,19,21,22)
InChIKeyNNXMGTRINHPQFM-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.41
Rot. Bonds3

About N-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine

N-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine (PubChem CID 71450242) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine.

Molecular Properties

Compound NameN-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
PubChem CID71450242
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
SMILESCn1cc2c(nc(NC3CCCCCC3)n3nc(-c4ccco4)nc23)n1
InChIInChI=1S/C18H21N7O/c1-24-11-13-15(22-24)21-18(19-12-7-4-2-3-5-8-12)25-17(13)20-16(23-25)14-9-6-10-26-14/h6,9-12H,2-5,7-8H2,1H3,(H,19,21,22)
InChIKeyNNXMGTRINHPQFM-UHFFFAOYSA-N
XLogP3.41
TPSA86.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine 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 N-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine?
The IUPAC name of N-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine (CID 71450242) is N-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine.
What is the SMILES notation for N-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine?
The canonical SMILES for N-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine is Cn1cc2c(nc(NC3CCCCCC3)n3nc(-c4ccco4)nc23)n1.
What is the InChIKey of N-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine?
The InChIKey is NNXMGTRINHPQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-24-11-13-15(22-24)21-18(19-12-7-4-2-3-5-8-12)25-17(13)20-16(23-25)14-9-6-10-26-14/h6,9-12H,2-5,7-8H2,1H3,(H,19,21,22).
What are the key properties of N-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine?
N-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine has a molecular weight of 351.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine is sourced from PubChem (CID 71450242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).