N'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine

C43H82N8 — CID 54065019

IUPACN'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine
SMILESCCCc1nc(CCN(CCCCCCCCN(CCC)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)nc(NC2CCCCC2)n1
InChIInChI=1S/C43H82N8/c1-11-22-37-45-38(47-39(46-37)44-34-23-18-17-19-24-34)25-29-51(36-32-42(7,8)49-43(9,10)33-36)28-21-16-14-13-15-20-27-50(26-12-2)35-30-40(3,4)48-41(5,6)31-35/h34-36,48-49H,11-33H2,1-10H3,(H,44,45,46,47)
InChIKeyMCIHYRQGGBMOJQ-UHFFFAOYSA-N
MW711.18 g/mol
LogP9.08
Rot. Bonds20

About N'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine

N'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine (PubChem CID 54065019) has the molecular formula C43H82N8 and a molecular weight of 711.18 g/mol. Its IUPAC name is N'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine.

Molecular Properties

Compound NameN'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine
PubChem CID54065019
Molecular FormulaC43H82N8
Molecular Weight711.18 g/mol
Exact Mass710.67
IUPAC NameN'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine
SMILESCCCc1nc(CCN(CCCCCCCCN(CCC)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)nc(NC2CCCCC2)n1
InChIInChI=1S/C43H82N8/c1-11-22-37-45-38(47-39(46-37)44-34-23-18-17-19-24-34)25-29-51(36-32-42(7,8)49-43(9,10)33-36)28-21-16-14-13-15-20-27-50(26-12-2)35-30-40(3,4)48-41(5,6)31-35/h34-36,48-49H,11-33H2,1-10H3,(H,44,45,46,47)
InChIKeyMCIHYRQGGBMOJQ-UHFFFAOYSA-N
XLogP9.08
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.18
LogP ≤ 59.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine?
The IUPAC name of N'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine (CID 54065019) is N'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine.
What is the SMILES notation for N'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine?
The canonical SMILES for N'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine is CCCc1nc(CCN(CCCCCCCCN(CCC)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)nc(NC2CCCCC2)n1.
What is the InChIKey of N'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine?
The InChIKey is MCIHYRQGGBMOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H82N8/c1-11-22-37-45-38(47-39(46-37)44-34-23-18-17-19-24-34)25-29-51(36-32-42(7,8)49-43(9,10)33-36)28-21-16-14-13-15-20-27-50(26-12-2)35-30-40(3,4)48-41(5,6)31-35/h34-36,48-49H,11-33H2,1-10H3,(H,44,45,46,47).
What are the key properties of N'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine?
N'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine has a molecular weight of 711.18 g/mol, XLogP of 9.08, 20 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(cyclohexylamino)-6-propyl-1,3,5-triazin-2-yl]ethyl]-N-propyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine is sourced from PubChem (CID 54065019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).