N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine

C15H18N6 — CID 137211035

IUPACN-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine
SMILESCNC1CCCN(c2nc[nH]c3cnc4nccc4c23)C1
InChIInChI=1S/C15H18N6/c1-16-10-3-2-6-21(8-10)15-13-11-4-5-17-14(11)18-7-12(13)19-9-20-15/h4-5,7,9-10,16H,2-3,6,8H2,1H3,(H,19,20)
InChIKeyWFWZYDKNPOMGQO-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.69
Rot. Bonds2

About N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine

N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine (PubChem CID 137211035) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine
PubChem CID137211035
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine
SMILESCNC1CCCN(c2nc[nH]c3cnc4nccc4c23)C1
InChIInChI=1S/C15H18N6/c1-16-10-3-2-6-21(8-10)15-13-11-4-5-17-14(11)18-7-12(13)19-9-20-15/h4-5,7,9-10,16H,2-3,6,8H2,1H3,(H,19,20)
InChIKeyWFWZYDKNPOMGQO-UHFFFAOYSA-N
XLogP1.69
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine with MolForge

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Related Compounds

1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine
CID 137230004
2-Butyl-1-(2-methylpropyl)-5,7-dihydroimidazo[4,5-c][1,5]naphthyridin-4-amine
CID 70286792
2-Butyl-1-(2-methylpropyl)-5,7-dihydroimidazo[4,5-c][1,5]naphthyridine
CID 70287116
6-Piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene
CID 91510263
1-(5,7,10,12-Tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine
CID 136418822
N-[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide
CID 136418977
13-[1-(3-Methylbutyl)piperidin-3-yl]-5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaene
CID 136419005
1-(5,7,10,12-Tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidin-3-amine
CID 136419015
N-[1-(11-methyl-5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide
CID 136419016
9-piperazin-1-yl-6H-pyrrolo[3,2-f][1,7]naphthyridine
CID 136419209
6-Methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine
CID 136419239
6-Methyl-1-(11-methyl-5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine
CID 136419331

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine?
The IUPAC name of N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine (CID 137211035) is N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine is CNC1CCCN(c2nc[nH]c3cnc4nccc4c23)C1.
What is the InChIKey of N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine?
The InChIKey is WFWZYDKNPOMGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-16-10-3-2-6-21(8-10)15-13-11-4-5-17-14(11)18-7-12(13)19-9-20-15/h4-5,7,9-10,16H,2-3,6,8H2,1H3,(H,19,20).
What are the key properties of N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine?
N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine has a molecular weight of 282.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine is sourced from PubChem (CID 137211035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).