1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine

C14H11N3 — CID 102253898

IUPAC1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine
SMILESNC1=Nc2cccc3c4ccccc4n(c23)C1
InChIInChI=1S/C14H11N3/c15-13-8-17-12-7-2-1-4-9(12)10-5-3-6-11(16-13)14(10)17/h1-7H,8H2,(H2,15,16)
InChIKeyLWSXUMUFBCUGJX-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.80
Rot. Bonds

About 1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine

1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine (PubChem CID 102253898) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine.

Molecular Properties

Compound Name1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine
PubChem CID102253898
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine
SMILESNC1=Nc2cccc3c4ccccc4n(c23)C1
InChIInChI=1S/C14H11N3/c15-13-8-17-12-7-2-1-4-9(12)10-5-3-6-11(16-13)14(10)17/h1-7H,8H2,(H2,15,16)
InChIKeyLWSXUMUFBCUGJX-UHFFFAOYSA-N
XLogP2.80
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone
CID 175841087
carbazole-1,9-dicarboxamide
CID 141418559
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
ethane;9-methylcarbazol-1-amine
CID 142426342
(3E)-3-(dimethylaminomethylidene)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-4-one
CID 46196886
(10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene
CID 167253368
3,3-dichloro-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione
CID 2785533
13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene
CID 20784034
1-iodocarbazol-9-amine
CID 134389123
2-carbazol-9-ylbenzene-1,3-diamine
CID 122584908
2,20-diazaoctacyclo[18.10.1.02,18.03,16.04,9.010,15.021,26.027,31]hentriaconta-1(30),3(16),4,6,8,10,12,14,17,21,23,25,27(31),28-tetradecaen-19-one
CID 146639154
2,9,17-triazaheptacyclo[15.10.1.02,10.03,8.011,16.018,23.024,28]octacosa-1(27),3,5,7,9,11,13,15,18,20,22,24(28),25-tridecaene
CID 164734138

Frequently Asked Questions

What is the IUPAC name of 1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine?
The IUPAC name of 1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine (CID 102253898) is 1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine.
What is the SMILES notation for 1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine?
The canonical SMILES for 1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine is NC1=Nc2cccc3c4ccccc4n(c23)C1.
What is the InChIKey of 1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine?
The InChIKey is LWSXUMUFBCUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-13-8-17-12-7-2-1-4-9(12)10-5-3-6-11(16-13)14(10)17/h1-7H,8H2,(H2,15,16).
What are the key properties of 1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine?
1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine has a molecular weight of 221.26 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine is sourced from PubChem (CID 102253898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).