1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide

C28H50Br4N4 — CID 67645178

IUPAC1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide
SMILESBr.Br.Br.Br.[H]/N=c1\cc(C)ccn1CCCCCCCCCCCCCCCCn1ccc(C)c/c1=N\[H]
InChIInChI=1S/C28H46N4.4BrH/c1-25-17-21-31(27(29)23-25)19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-32-22-18-26(2)24-28(32)30;;;;/h17-18,21-24,29-30H,3-16,19-20H2,1-2H3;4*1H/b29-27+,30-28+;;;;
InChIKeySUTVKERKSIEUTJ-XJTVFQKCSA-N
MW762.35 g/mol
LogP9.34
Rot. Bonds17

About 1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide

1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide (PubChem CID 67645178) has the molecular formula C28H50Br4N4 and a molecular weight of 762.35 g/mol. Its IUPAC name is 1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide.

Molecular Properties

Compound Name1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide
PubChem CID67645178
Molecular FormulaC28H50Br4N4
Molecular Weight762.35 g/mol
Exact Mass758.08
IUPAC Name1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide
SMILESBr.Br.Br.Br.[H]/N=c1\cc(C)ccn1CCCCCCCCCCCCCCCCn1ccc(C)c/c1=N\[H]
InChIInChI=1S/C28H46N4.4BrH/c1-25-17-21-31(27(29)23-25)19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-32-22-18-26(2)24-28(32)30;;;;/h17-18,21-24,29-30H,3-16,19-20H2,1-2H3;4*1H/b29-27+,30-28+;;;;
InChIKeySUTVKERKSIEUTJ-XJTVFQKCSA-N
XLogP9.34
TPSA57.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.35
LogP ≤ 59.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide?
The IUPAC name of 1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide (CID 67645178) is 1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide.
What is the SMILES notation for 1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide?
The canonical SMILES for 1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide is Br.Br.Br.Br.[H]/N=c1\cc(C)ccn1CCCCCCCCCCCCCCCCn1ccc(C)c/c1=N\[H].
What is the InChIKey of 1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide?
The InChIKey is SUTVKERKSIEUTJ-XJTVFQKCSA-N. The full InChI is InChI=1S/C28H46N4.4BrH/c1-25-17-21-31(27(29)23-25)19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-32-22-18-26(2)24-28(32)30;;;;/h17-18,21-24,29-30H,3-16,19-20H2,1-2H3;4*1H/b29-27+,30-28+;;;;.
What are the key properties of 1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide?
1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide has a molecular weight of 762.35 g/mol, XLogP of 9.34, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[16-(2-imino-4-methyl-1-pyridinyl)hexadecyl]-4-methylpyridin-2-imine;tetrahydrobromide is sourced from PubChem (CID 67645178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).