N-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine

C26H21N3 — CID 145198826

IUPACN-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine
SMILESCNc1ccccc1-c1cc2c3ccccc3n3c4ccccc4c(c1NC)c23
InChIInChI=1S/C26H21N3/c1-27-21-12-6-3-9-16(21)19-15-20-17-10-4-7-13-22(17)29-23-14-8-5-11-18(23)24(26(20)29)25(19)28-2/h3-15,27-28H,1-2H3
InChIKeyLRHCVPSRVFAPBR-UHFFFAOYSA-N
MW375.48 g/mol
LogP6.59
Rot. Bonds3

About N-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine

N-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine (PubChem CID 145198826) has the molecular formula C26H21N3 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine.

Molecular Properties

Compound NameN-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine
PubChem CID145198826
Molecular FormulaC26H21N3
Molecular Weight375.48 g/mol
Exact Mass375.17
IUPAC NameN-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine
SMILESCNc1ccccc1-c1cc2c3ccccc3n3c4ccccc4c(c1NC)c23
InChIInChI=1S/C26H21N3/c1-27-21-12-6-3-9-16(21)19-15-20-17-10-4-7-13-22(17)29-23-14-8-5-11-18(23)24(26(20)29)25(19)28-2/h3-15,27-28H,1-2H3
InChIKeyLRHCVPSRVFAPBR-UHFFFAOYSA-N
XLogP6.59
TPSA28.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine with MolForge

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Related Compounds

11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene
CID 170211061
5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 166737595
N-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine
CID 166491820
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
9-methyl-10-(1-methylpyridin-1-ium-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 177095609
15-naphthalen-1-yl-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22-dodecaene
CID 146180298
4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 166737588
23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 122594993
13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene
CID 138507009
3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)-15-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 168768228
1-methyl-2-[2-(methylamino)phenyl]quinolin-4-one
CID 24767308
5,38-diazaheptadecacyclo[36.28.1.15,30.02,37.04,35.06,29.08,27.09,14.015,20.021,26.039,62.041,60.042,47.048,53.054,59.063,67.034,68]octahexaconta-1(66),2,4(35),6(29),7,9,11,13,15,17,19,21,23,25,27,30(68),31,33,36,39(62),40,42,44,46,48,50,52,54,56,58,60,63(67),64-tritriacontaene
CID 170210969

Frequently Asked Questions

What is the IUPAC name of N-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine?
The IUPAC name of N-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine (CID 145198826) is N-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine.
What is the SMILES notation for N-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine?
The canonical SMILES for N-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine is CNc1ccccc1-c1cc2c3ccccc3n3c4ccccc4c(c1NC)c23.
What is the InChIKey of N-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine?
The InChIKey is LRHCVPSRVFAPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3/c1-27-21-12-6-3-9-16(21)19-15-20-17-10-4-7-13-22(17)29-23-14-8-5-11-18(23)24(26(20)29)25(19)28-2/h3-15,27-28H,1-2H3.
What are the key properties of N-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine?
N-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine has a molecular weight of 375.48 g/mol, XLogP of 6.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-10-[2-(methylamino)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaen-9-amine is sourced from PubChem (CID 145198826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).