4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

C16H27N5 — CID 133418859

IUPAC4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CC3CCCCC3C2)n1
InChIInChI=1S/C16H27N5/c1-11(2)14-17-15(20(3)4)19-16(18-14)21-9-12-7-5-6-8-13(12)10-21/h11-13H,5-10H2,1-4H3
InChIKeyDBBMEVLHAZEREZ-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.69
Rot. Bonds3

About 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 133418859) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID133418859
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CC3CCCCC3C2)n1
InChIInChI=1S/C16H27N5/c1-11(2)14-17-15(20(3)4)19-16(18-14)21-9-12-7-5-6-8-13(12)10-21/h11-13H,5-10H2,1-4H3
InChIKeyDBBMEVLHAZEREZ-UHFFFAOYSA-N
XLogP2.69
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 133418859) is 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N(C)C)nc(N2CC3CCCCC3C2)n1.
What is the InChIKey of 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is DBBMEVLHAZEREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-11(2)14-17-15(20(3)4)19-16(18-14)21-9-12-7-5-6-8-13(12)10-21/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 289.43 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 133418859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).