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

C20H27N5 — CID 59774216

IUPAC6-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
SMILESCN1CCC(CN(C)c2nc(N)nc3c2CCCc2ccccc2-3)C1
InChIInChI=1S/C20H27N5/c1-24-11-10-14(12-24)13-25(2)19-17-9-5-7-15-6-3-4-8-16(15)18(17)22-20(21)23-19/h3-4,6,8,14H,5,7,9-13H2,1-2H3,(H2,21,22,23)
InChIKeyIMUAHXVSOHWUDV-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.60
Rot. Bonds3

About 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

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 (PubChem CID 59774216) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID59774216
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name6-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
SMILESCN1CCC(CN(C)c2nc(N)nc3c2CCCc2ccccc2-3)C1
InChIInChI=1S/C20H27N5/c1-24-11-10-14(12-24)13-25(2)19-17-9-5-7-15-6-3-4-8-16(15)18(17)22-20(21)23-19/h3-4,6,8,14H,5,7,9-13H2,1-2H3,(H2,21,22,23)
InChIKeyIMUAHXVSOHWUDV-UHFFFAOYSA-N
XLogP2.60
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

6-N-methyl-6-N-(2-piperidin-1-ylethyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine
CID 59774336
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-[(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-[(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-(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-chloro-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 86621898
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-[(4-aminocyclohexyl)methyl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine
CID 59774245
6-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-4,6-diamine
CID 25069405
4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
CID 97131518
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC(CN(C)c2nc(N)nc3c2CCCc2ccccc2-3)C1.
What is the InChIKey of 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?
The InChIKey is IMUAHXVSOHWUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-24-11-10-14(12-24)13-25(2)19-17-9-5-7-15-6-3-4-8-16(15)18(17)22-20(21)23-19/h3-4,6,8,14H,5,7,9-13H2,1-2H3,(H2,21,22,23).
What are the key properties of 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?
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 has a molecular weight of 337.47 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59774216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).