N-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine

C20H27N5 — CID 139887316

IUPACN-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC=Nc1nc(NC2CCCC2Cc2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C20H27N5/c1-4-21-19-23-18(14(2)3)24-20(25-19)22-17-12-8-11-16(17)13-15-9-6-5-7-10-15/h4-7,9-10,14,16-17H,8,11-13H2,1-3H3,(H,22,23,24,25)
InChIKeyBIIBPMQCQQQMBS-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.54
Rot. Bonds6

About N-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine

N-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 139887316) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID139887316
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC=Nc1nc(NC2CCCC2Cc2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C20H27N5/c1-4-21-19-23-18(14(2)3)24-20(25-19)22-17-12-8-11-16(17)13-15-9-6-5-7-10-15/h4-7,9-10,14,16-17H,8,11-13H2,1-3H3,(H,22,23,24,25)
InChIKeyBIIBPMQCQQQMBS-UHFFFAOYSA-N
XLogP4.54
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 139887316) is N-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine is CC=Nc1nc(NC2CCCC2Cc2ccccc2)nc(C(C)C)n1.
What is the InChIKey of N-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is BIIBPMQCQQQMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-4-21-19-23-18(14(2)3)24-20(25-19)22-17-12-8-11-16(17)13-15-9-6-5-7-10-15/h4-7,9-10,14,16-17H,8,11-13H2,1-3H3,(H,22,23,24,25).
What are the key properties of N-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine?
N-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 337.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylcyclopentyl)-4-(ethylideneamino)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 139887316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).