N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine

C15H16N8 — CID 135998106

IUPACN-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
SMILESCCCN(C)c1ncc2c(n1)Nc1ccccc1-n1nnnc1-2
InChIInChI=1S/C15H16N8/c1-3-8-22(2)15-16-9-10-13(18-15)17-11-6-4-5-7-12(11)23-14(10)19-20-21-23/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyZZKJTVCDNBADGL-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.02
Rot. Bonds3

About N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine

N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine (PubChem CID 135998106) has the molecular formula C15H16N8 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine.

Molecular Properties

Compound NameN-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
PubChem CID135998106
Molecular FormulaC15H16N8
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
SMILESCCCN(C)c1ncc2c(n1)Nc1ccccc1-n1nnnc1-2
InChIInChI=1S/C15H16N8/c1-3-8-22(2)15-16-9-10-13(18-15)17-11-6-4-5-7-12(11)23-14(10)19-20-21-23/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyZZKJTVCDNBADGL-UHFFFAOYSA-N
XLogP2.02
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-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

N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
CID 135998096
N-(1-methylpiperidin-4-yl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
CID 135998069
N-[(3-fluorophenyl)methyl]-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
CID 135998054
N-[(2,5-difluorophenyl)methyl]-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
CID 135998104
ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate
CID 5467017
2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline
CID 61353615
N-methyl-N-propylpyrimidin-2-amine
CID 67810585
5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
CID 3610610
5-(benzenesulfonyl)-2-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 53490688
13-[(3,4-difluorophenyl)methyl]-10-methylsulfanyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
CID 53258398
5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706309
4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61376415

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine?
The IUPAC name of N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine (CID 135998106) is N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine.
What is the SMILES notation for N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine?
The canonical SMILES for N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine is CCCN(C)c1ncc2c(n1)Nc1ccccc1-n1nnnc1-2.
What is the InChIKey of N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine?
The InChIKey is ZZKJTVCDNBADGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8/c1-3-8-22(2)15-16-9-10-13(18-15)17-11-6-4-5-7-12(11)23-14(10)19-20-21-23/h4-7,9H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine?
N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine has a molecular weight of 308.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine is sourced from PubChem (CID 135998106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).