N-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

C20H33N7 — CID 1285411

IUPACN-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCN(N=C1CCCCC1)c1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C20H33N7/c1-25(24-17-11-5-2-6-12-17)18-21-19(26-13-7-3-8-14-26)23-20(22-18)27-15-9-4-10-16-27/h2-16H2,1H3
InChIKeyAQGLOTPPXRUSHT-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.61
Rot. Bonds4

About N-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

N-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 1285411) has the molecular formula C20H33N7 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID1285411
Molecular FormulaC20H33N7
Molecular Weight371.53 g/mol
Exact Mass371.28
IUPAC NameN-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCN(N=C1CCCCC1)c1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C20H33N7/c1-25(24-17-11-5-2-6-12-17)18-21-19(26-13-7-3-8-14-26)23-20(22-18)27-15-9-4-10-16-27/h2-16H2,1H3
InChIKeyAQGLOTPPXRUSHT-UHFFFAOYSA-N
XLogP3.61
TPSA60.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-1-methylhydrazine
CID 805708
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
N-[(E)-(4-chlorophenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 5339984
(3Z)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]-1-ethylindol-2-one
CID 126231131
4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62868341
4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol
CID 3786990
4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol
CID 135644327
2-N,4-N,4-N-trimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80764986
5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol
CID 3810486
4-N-(2,2-dimethylpropyl)-2-N,4-N-dimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80793330
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 115988805

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (CID 1285411) is N-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is CN(N=C1CCCCC1)c1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is AQGLOTPPXRUSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N7/c1-25(24-17-11-5-2-6-12-17)18-21-19(26-13-7-3-8-14-26)23-20(22-18)27-15-9-4-10-16-27/h2-16H2,1H3.
What are the key properties of N-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
N-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 371.53 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1285411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).