azane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride

C25H53ClN10 — CID 158227495

IUPACazane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
SMILESCN(Cc1cccc2ccccc12)c1nc(N2CCCCC2)nc(N2CCCCC2)n1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H32N6.ClH.4H3N.4H2/c1-29(19-21-13-10-12-20-11-4-5-14-22(20)21)23-26-24(30-15-6-2-7-16-30)28-25(27-23)31-17-8-3-9-18-31;;;;;;;;;/h4-5,10-14H,2-3,6-9,15-19H2,1H3;1H;4*1H3;4*1H
InChIKeyDNLDLUAXDWWNCS-UHFFFAOYSA-N
MW529.22 g/mol
LogP6.70
Rot. Bonds5

About azane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride

azane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride (PubChem CID 158227495) has the molecular formula C25H53ClN10 and a molecular weight of 529.22 g/mol. Its IUPAC name is azane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride.

Molecular Properties

Compound Nameazane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
PubChem CID158227495
Molecular FormulaC25H53ClN10
Molecular Weight529.22 g/mol
Exact Mass528.41
IUPAC Nameazane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
SMILESCN(Cc1cccc2ccccc12)c1nc(N2CCCCC2)nc(N2CCCCC2)n1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H32N6.ClH.4H3N.4H2/c1-29(19-21-13-10-12-20-11-4-5-14-22(20)21)23-26-24(30-15-6-2-7-16-30)28-25(27-23)31-17-8-3-9-18-31;;;;;;;;;/h4-5,10-14H,2-3,6-9,15-19H2,1H3;1H;4*1H3;4*1H
InChIKeyDNLDLUAXDWWNCS-UHFFFAOYSA-N
XLogP6.70
TPSA188.39 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.22
LogP ≤ 56.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of azane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
The IUPAC name of azane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride (CID 158227495) is azane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride.
What is the SMILES notation for azane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
The canonical SMILES for azane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride is CN(Cc1cccc2ccccc12)c1nc(N2CCCCC2)nc(N2CCCCC2)n1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of azane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
The InChIKey is DNLDLUAXDWWNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6.ClH.4H3N.4H2/c1-29(19-21-13-10-12-20-11-4-5-14-22(20)21)23-26-24(30-15-6-2-7-16-30)28-25(27-23)31-17-8-3-9-18-31;;;;;;;;;/h4-5,10-14H,2-3,6-9,15-19H2,1H3;1H;4*1H3;4*1H.
What are the key properties of azane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
azane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride has a molecular weight of 529.22 g/mol, XLogP of 6.70, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride is sourced from PubChem (CID 158227495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).