4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

C19H32N6 — CID 133421718

IUPAC4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCC3C(CCCN3C3CC3)C2)n1
InChIInChI=1S/C19H32N6/c1-13(2)17-20-18(23(3)4)22-19(21-17)24-11-9-16-14(12-24)6-5-10-25(16)15-7-8-15/h13-16H,5-12H2,1-4H3
InChIKeyYBCDRFVCRMIENR-UHFFFAOYSA-N
MW344.51 g/mol
LogP2.51
Rot. Bonds4

About 4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 133421718) has the molecular formula C19H32N6 and a molecular weight of 344.51 g/mol. Its IUPAC name is 4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID133421718
Molecular FormulaC19H32N6
Molecular Weight344.51 g/mol
Exact Mass344.27
IUPAC Name4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCC3C(CCCN3C3CC3)C2)n1
InChIInChI=1S/C19H32N6/c1-13(2)17-20-18(23(3)4)22-19(21-17)24-11-9-16-14(12-24)6-5-10-25(16)15-7-8-15/h13-16H,5-12H2,1-4H3
InChIKeyYBCDRFVCRMIENR-UHFFFAOYSA-N
XLogP2.51
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-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-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 133421718) is 4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N(C)C)nc(N2CCC3C(CCCN3C3CC3)C2)n1.
What is the InChIKey of 4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is YBCDRFVCRMIENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6/c1-13(2)17-20-18(23(3)4)22-19(21-17)24-11-9-16-14(12-24)6-5-10-25(16)15-7-8-15/h13-16H,5-12H2,1-4H3.
What are the key properties of 4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 344.51 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 133421718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).