6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine

C18H21N5 — CID 67302601

IUPAC6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
SMILESNc1nc2c(c(N3CC4CNCC43)n1)CCCc1ccccc1-2
InChIInChI=1S/C18H21N5/c19-18-21-16-13-6-2-1-4-11(13)5-3-7-14(16)17(22-18)23-10-12-8-20-9-15(12)23/h1-2,4,6,12,15,20H,3,5,7-10H2,(H2,19,21,22)
InChIKeyRKURRDGLLNBWQJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.62
Rot. Bonds1

About 6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine

6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine (PubChem CID 67302601) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine.

Molecular Properties

Compound Name6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
PubChem CID67302601
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
SMILESNc1nc2c(c(N3CC4CNCC43)n1)CCCc1ccccc1-2
InChIInChI=1S/C18H21N5/c19-18-21-16-13-6-2-1-4-11(13)5-3-7-14(16)17(22-18)23-10-12-8-20-9-15(12)23/h1-2,4,6,12,15,20H,3,5,7-10H2,(H2,19,21,22)
InChIKeyRKURRDGLLNBWQJ-UHFFFAOYSA-N
XLogP1.62
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine with MolForge

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Related Compounds

6-(3-aminoazetidin-1-yl)-3,5-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-4-amine
CID 66741046
6-(2,6-diazabicyclo[3.2.1]octan-2-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 66741343
6-[(3R)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-4-amine
CID 67302144
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25074119
6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071320
6-[(3S)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),3,5,13,15-hexaen-4-amine
CID 67301773
6-chloro-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 86621898
4-(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)piperazine-1-carboxylic acid
CID 69226287
4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 56950109
6-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine
CID 59774261
6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25074121
6-N-methyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine
CID 59774216

Frequently Asked Questions

What is the IUPAC name of 6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine?
The IUPAC name of 6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine (CID 67302601) is 6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine.
What is the SMILES notation for 6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine?
The canonical SMILES for 6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine is Nc1nc2c(c(N3CC4CNCC43)n1)CCCc1ccccc1-2.
What is the InChIKey of 6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine?
The InChIKey is RKURRDGLLNBWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c19-18-21-16-13-6-2-1-4-11(13)5-3-7-14(16)17(22-18)23-10-12-8-20-9-15(12)23/h1-2,4,6,12,15,20H,3,5,7-10H2,(H2,19,21,22).
What are the key properties of 6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine?
6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine has a molecular weight of 307.40 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine is sourced from PubChem (CID 67302601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).