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

C18H23N5 — CID 67302144

IUPAC6-[(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
SMILESNc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCCc1ccccc1-2
InChIInChI=1S/C18H23N5/c19-13-9-10-23(11-13)17-15-8-4-2-6-12-5-1-3-7-14(12)16(15)21-18(20)22-17/h1,3,5,7,13H,2,4,6,8-11,19H2,(H2,20,21,22)/t13-/m1/s1
InChIKeyXHRRQXOMZGMLSK-CYBMUJFWSA-N
MW309.42 g/mol
LogP2.14
Rot. Bonds1

About 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

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 (PubChem CID 67302144) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID67302144
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name6-[(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
SMILESNc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCCc1ccccc1-2
InChIInChI=1S/C18H23N5/c19-13-9-10-23(11-13)17-15-8-4-2-6-12-5-1-3-7-14(12)16(15)21-18(20)22-17/h1,3,5,7,13H,2,4,6,8-11,19H2,(H2,20,21,22)/t13-/m1/s1
InChIKeyXHRRQXOMZGMLSK-CYBMUJFWSA-N
XLogP2.14
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[(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
4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dihydro-[1]benzothiepino[5,4-d]pyrimidin-2-amine
CID 25071632
4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 56950109
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
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-(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
11-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-thia-12,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-13-amine
CID 44513554
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-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-[(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCCc1ccccc1-2.
What is the InChIKey of 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?
The InChIKey is XHRRQXOMZGMLSK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N5/c19-13-9-10-23(11-13)17-15-8-4-2-6-12-5-1-3-7-14(12)16(15)21-18(20)22-17/h1,3,5,7,13H,2,4,6,8-11,19H2,(H2,20,21,22)/t13-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 309.42 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67302144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).