3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine

C19H23N3 — CID 3057673

IUPAC3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine
SMILESCNCCCN1Cc2cccc3c2N(CC3)c2ccccc21
InChIInChI=1S/C19H23N3/c1-20-11-5-12-21-14-16-7-4-6-15-10-13-22(19(15)16)18-9-3-2-8-17(18)21/h2-4,6-9,20H,5,10-14H2,1H3
InChIKeyDZLNCIZNGRUVQF-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.31
Rot. Bonds4

About 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine

3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine (PubChem CID 3057673) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine
PubChem CID3057673
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine
SMILESCNCCCN1Cc2cccc3c2N(CC3)c2ccccc21
InChIInChI=1S/C19H23N3/c1-20-11-5-12-21-14-16-7-4-6-15-10-13-22(19(15)16)18-9-3-2-8-17(18)21/h2-4,6-9,20H,5,10-14H2,1H3
InChIKeyDZLNCIZNGRUVQF-UHFFFAOYSA-N
XLogP3.31
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine with MolForge

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Related Compounds

2-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylethanamine
CID 3057671
3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)propan-1-ol
CID 12685800
N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine
CID 63778931
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine
CID 89268995
1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine
CID 14156741
3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine
CID 117030152
N-[3-(2,3-dihydroindol-1-yl)propyl]-4,4-dimethylthian-3-amine
CID 79954468
1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388037
3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
1-butyl-2,3-dihydroindole
CID 4167209
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492

Frequently Asked Questions

What is the IUPAC name of 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine (CID 3057673) is 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine is CNCCCN1Cc2cccc3c2N(CC3)c2ccccc21.
What is the InChIKey of 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine?
The InChIKey is DZLNCIZNGRUVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-20-11-5-12-21-14-16-7-4-6-15-10-13-22(19(15)16)18-9-3-2-8-17(18)21/h2-4,6-9,20H,5,10-14H2,1H3.
What are the key properties of 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine?
3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 3057673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).