4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine

C17H33N7 — CID 167281303

IUPAC4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCNc1nc(NC)nc(NCCN2CCCCC2)n1
InChIInChI=1S/C17H33N7/c1-3-4-5-7-10-19-16-21-15(18-2)22-17(23-16)20-11-14-24-12-8-6-9-13-24/h3-14H2,1-2H3,(H3,18,19,20,21,22,23)
InChIKeyNUWMHCZEWGQAJW-UHFFFAOYSA-N
MW335.50 g/mol
LogP2.80
Rot. Bonds11

About 4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine

4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 167281303) has the molecular formula C17H33N7 and a molecular weight of 335.50 g/mol. Its IUPAC name is 4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID167281303
Molecular FormulaC17H33N7
Molecular Weight335.50 g/mol
Exact Mass335.28
IUPAC Name4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCNc1nc(NC)nc(NCCN2CCCCC2)n1
InChIInChI=1S/C17H33N7/c1-3-4-5-7-10-19-16-21-15(18-2)22-17(23-16)20-11-14-24-12-8-6-9-13-24/h3-14H2,1-2H3,(H3,18,19,20,21,22,23)
InChIKeyNUWMHCZEWGQAJW-UHFFFAOYSA-N
XLogP2.80
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830863
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 91085436
2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 173305313
CID 162323144
CID 162323144
2-N,2-N,6-N-trimethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80777256
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
9-[5-(azepan-1-yl)pentyl]-2-(butylamino)-6-(methylamino)-7H-purin-8-one
CID 135129760
1-dodecylazepane
CID 3366129
1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821

Frequently Asked Questions

What is the IUPAC name of 4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine (CID 167281303) is 4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine is CCCCCCNc1nc(NC)nc(NCCN2CCCCC2)n1.
What is the InChIKey of 4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NUWMHCZEWGQAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N7/c1-3-4-5-7-10-19-16-21-15(18-2)22-17(23-16)20-11-14-24-12-8-6-9-13-24/h3-14H2,1-2H3,(H3,18,19,20,21,22,23).
What are the key properties of 4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine?
4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 335.50 g/mol, XLogP of 2.80, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 167281303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).