2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine

C21H37N5O — CID 111049126

IUPAC2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine
SMILESCC(C)CCCC(C)N/C(N)=N/Cc1ccc(N2CC(C)OC(C)C2)nc1
InChIInChI=1S/C21H37N5O/c1-15(2)7-6-8-16(3)25-21(22)24-12-19-9-10-20(23-11-19)26-13-17(4)27-18(5)14-26/h9-11,15-18H,6-8,12-14H2,1-5H3,(H3,22,24,25)
InChIKeyXZINBIXENMBZPN-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.31
Rot. Bonds8

About 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine

2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine (PubChem CID 111049126) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine.

Molecular Properties

Compound Name2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine
PubChem CID111049126
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine
SMILESCC(C)CCCC(C)N/C(N)=N/Cc1ccc(N2CC(C)OC(C)C2)nc1
InChIInChI=1S/C21H37N5O/c1-15(2)7-6-8-16(3)25-21(22)24-12-19-9-10-20(23-11-19)26-13-17(4)27-18(5)14-26/h9-11,15-18H,6-8,12-14H2,1-5H3,(H3,22,24,25)
InChIKeyXZINBIXENMBZPN-UHFFFAOYSA-N
XLogP3.31
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111049165
1-tert-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 119118388
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111049111
1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111049108
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111049158
1-(2,6-diethylphenyl)-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111049127
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111049273
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
1-(6-methylheptan-2-yl)-2-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111041209
1-(1-methoxypropan-2-yl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111048901
[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 30047687
1-butyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 111151513

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine?
The IUPAC name of 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine (CID 111049126) is 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine.
What is the SMILES notation for 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine?
The canonical SMILES for 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine is CC(C)CCCC(C)N/C(N)=N/Cc1ccc(N2CC(C)OC(C)C2)nc1.
What is the InChIKey of 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine?
The InChIKey is XZINBIXENMBZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O/c1-15(2)7-6-8-16(3)25-21(22)24-12-19-9-10-20(23-11-19)26-13-17(4)27-18(5)14-26/h9-11,15-18H,6-8,12-14H2,1-5H3,(H3,22,24,25).
What are the key properties of 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine?
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine has a molecular weight of 375.56 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(6-methylheptan-2-yl)guanidine is sourced from PubChem (CID 111049126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).