10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine

C36H32N4 — CID 89282091

IUPAC10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine
SMILESCc1cc2nc3cc4cc5c6c7c(c(C)cn6C(C)C(N)=C5)c(C)c5c(C)c6c(C)c(C)c(c1C)c2c6c3c5n47
InChIInChI=1S/C36H32N4/c1-14-9-25-31-28(16(14)3)17(4)18(5)29-20(7)30-19(6)27-15(2)13-39-21(8)24(37)11-22-10-23-12-26(38-25)32(33(29)31)35(30)40(23)36(27)34(22)39/h9-13,21H,37H2,1-8H3
InChIKeyIXMWNSYIWPKRSP-UHFFFAOYSA-N
MW520.68 g/mol
LogP8.96
Rot. Bonds

About 10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine

10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine (PubChem CID 89282091) has the molecular formula C36H32N4 and a molecular weight of 520.68 g/mol. Its IUPAC name is 10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine.

Molecular Properties

Compound Name10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine
PubChem CID89282091
Molecular FormulaC36H32N4
Molecular Weight520.68 g/mol
Exact Mass520.26
IUPAC Name10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine
SMILESCc1cc2nc3cc4cc5c6c7c(c(C)cn6C(C)C(N)=C5)c(C)c5c(C)c6c(C)c(C)c(c1C)c2c6c3c5n47
InChIInChI=1S/C36H32N4/c1-14-9-25-31-28(16(14)3)17(4)18(5)29-20(7)30-19(6)27-15(2)13-39-21(8)24(37)11-22-10-23-12-26(38-25)32(33(29)31)35(30)40(23)36(27)34(22)39/h9-13,21H,37H2,1-8H3
InChIKeyIXMWNSYIWPKRSP-UHFFFAOYSA-N
XLogP8.96
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 58.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine with MolForge

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Related Compounds

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N,N'-bis(2,2,6,6-tetramethylacridin-4-yl)hexane-1,6-diamine
CID 154019367
(Z)-N,N'-dimethyl-4-methylidene-2-[6-[2-(6-methyl-1,2,3,6-tetrahydropyridin-2-yl)-1,4-dihydropyridin-3-yl]-2,3-dihydro-1,5-naphthyridin-3-yl]hept-2-ene-1,7-diamine
CID 156412817
1-[1-[(E)-3-amino-2-methylprop-1-enyl]-2-methylidene-3,4-dihydropyridin-5-yl]-3-[1-(but-3-enylamino)butan-2-ylimino]-2-methylbut-1-en-1-amine
CID 173950967

Frequently Asked Questions

What is the IUPAC name of 10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine?
The IUPAC name of 10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine (CID 89282091) is 10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine.
What is the SMILES notation for 10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine?
The canonical SMILES for 10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine is Cc1cc2nc3cc4cc5c6c7c(c(C)cn6C(C)C(N)=C5)c(C)c5c(C)c6c(C)c(C)c(c1C)c2c6c3c5n47.
What is the InChIKey of 10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine?
The InChIKey is IXMWNSYIWPKRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4/c1-14-9-25-31-28(16(14)3)17(4)18(5)29-20(7)30-19(6)27-15(2)13-39-21(8)24(37)11-22-10-23-12-26(38-25)32(33(29)31)35(30)40(23)36(27)34(22)39/h9-13,21H,37H2,1-8H3.
What are the key properties of 10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine?
10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine has a molecular weight of 520.68 g/mol, XLogP of 8.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11,13,14,16,18,20,23-octamethyl-1,22,31-triazanonacyclo[15.11.1.12,26.14,8.05,29.06,15.07,12.019,28.022,27]hentriaconta-2(30),3,5(29),6,8(31),9,11,13,15,17,19(28),20,24,26-tetradecaen-24-amine is sourced from PubChem (CID 89282091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).