2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide

C14H23IN4 — CID 71925298

IUPAC2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide
SMILESC=CCN/C(=N\Cc1ncccc1C)NCCC.I
InChIInChI=1S/C14H22N4.HI/c1-4-8-16-14(17-9-5-2)18-11-13-12(3)7-6-10-15-13;/h4,6-7,10H,1,5,8-9,11H2,2-3H3,(H2,16,17,18);1H
InChIKeyDOFAIOPWJDWRCH-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.64
Rot. Bonds6

About 2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide

2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide (PubChem CID 71925298) has the molecular formula C14H23IN4 and a molecular weight of 374.27 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide
PubChem CID71925298
Molecular FormulaC14H23IN4
Molecular Weight374.27 g/mol
Exact Mass374.10
IUPAC Name2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide
SMILESC=CCN/C(=N\Cc1ncccc1C)NCCC.I
InChIInChI=1S/C14H22N4.HI/c1-4-8-16-14(17-9-5-2)18-11-13-12(3)7-6-10-15-13;/h4,6-7,10H,1,5,8-9,11H2,2-3H3,(H2,16,17,18);1H
InChIKeyDOFAIOPWJDWRCH-UHFFFAOYSA-N
XLogP2.64
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-hexyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111787988
1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111548188
1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 116515248
1-cyclopentyl-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111787756
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine
CID 111788533
1-ethyl-2-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110980600
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 109410599
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110983129
3-methyl-2-prop-2-enylpyridine
CID 18185591
1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111802438
1-ethyl-2-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine
CID 110980601

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide (CID 71925298) is 2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide is C=CCN/C(=N\Cc1ncccc1C)NCCC.I.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide?
The InChIKey is DOFAIOPWJDWRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4.HI/c1-4-8-16-14(17-9-5-2)18-11-13-12(3)7-6-10-15-13;/h4,6-7,10H,1,5,8-9,11H2,2-3H3,(H2,16,17,18);1H.
What are the key properties of 2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide?
2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide has a molecular weight of 374.27 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide is sourced from PubChem (CID 71925298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).