1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine

C19H31N5O — CID 109498766

IUPAC1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCc1ccnc(N2CCOC(C)C2)c1
InChIInChI=1S/C19H31N5O/c1-5-6-7-10-23(4)19(20-3)22-14-17-8-9-21-18(13-17)24-11-12-25-16(2)15-24/h5,8-9,13,16H,1,6-7,10-12,14-15H2,2-4H3,(H,20,22)
InChIKeyRRDKTLMBOVVVME-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.28
Rot. Bonds7

About 1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine

1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine (PubChem CID 109498766) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine
PubChem CID109498766
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCc1ccnc(N2CCOC(C)C2)c1
InChIInChI=1S/C19H31N5O/c1-5-6-7-10-23(4)19(20-3)22-14-17-8-9-21-18(13-17)24-11-12-25-16(2)15-24/h5,8-9,13,16H,1,6-7,10-12,14-15H2,2-4H3,(H,20,22)
InChIKeyRRDKTLMBOVVVME-UHFFFAOYSA-N
XLogP2.28
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-1-pent-4-enyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine
CID 109497734
1,2-dimethyl-1-pent-4-enyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 109499481
1-hept-6-enyl-1,2-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 109484528
1,2-dimethyl-1-pent-4-enyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 109497928
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497476
1-cyclopentyl-2-methyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine
CID 111964017
3-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109497178
2-methyl-1-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111964972
2-methyl-1-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-octan-2-ylguanidine
CID 111964453
N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide
CID 109490808
1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine
CID 109497886
1,2-dimethyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-[(4-methylsulfanylphenyl)methyl]guanidine
CID 111298819

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine?
The IUPAC name of 1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine (CID 109498766) is 1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine.
What is the SMILES notation for 1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine?
The canonical SMILES for 1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\C)NCc1ccnc(N2CCOC(C)C2)c1.
What is the InChIKey of 1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine?
The InChIKey is RRDKTLMBOVVVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-5-6-7-10-23(4)19(20-3)22-14-17-8-9-21-18(13-17)24-11-12-25-16(2)15-24/h5,8-9,13,16H,1,6-7,10-12,14-15H2,2-4H3,(H,20,22).
What are the key properties of 1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine?
1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine has a molecular weight of 345.49 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-1-pent-4-enylguanidine is sourced from PubChem (CID 109498766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).