1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

C14H31IN4 — CID 111691843

IUPAC1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCCN(C(C)C)C(C)C.I
InChIInChI=1S/C14H30N4.HI/c1-11(2)10-17-14(15)16-8-7-9-18(12(3)4)13(5)6;/h12-13H,1,7-10H2,2-6H3,(H3,15,16,17);1H
InChIKeyUZPDYKSAGILNIW-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.59
Rot. Bonds8

About 1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (PubChem CID 111691843) has the molecular formula C14H31IN4 and a molecular weight of 382.33 g/mol. Its IUPAC name is 1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
PubChem CID111691843
Molecular FormulaC14H31IN4
Molecular Weight382.33 g/mol
Exact Mass382.16
IUPAC Name1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCCN(C(C)C)C(C)C.I
InChIInChI=1S/C14H30N4.HI/c1-11(2)10-17-14(15)16-8-7-9-18(12(3)4)13(5)6;/h12-13H,1,7-10H2,2-6H3,(H3,15,16,17);1H
InChIKeyUZPDYKSAGILNIW-UHFFFAOYSA-N
XLogP2.59
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The IUPAC name of 1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (CID 111691843) is 1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The canonical SMILES for 1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is C=C(C)C/N=C(\N)NCCCN(C(C)C)C(C)C.I.
What is the InChIKey of 1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The InChIKey is UZPDYKSAGILNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.HI/c1-11(2)10-17-14(15)16-8-7-9-18(12(3)4)13(5)6;/h12-13H,1,7-10H2,2-6H3,(H3,15,16,17);1H.
What are the key properties of 1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide has a molecular weight of 382.33 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is sourced from PubChem (CID 111691843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).