2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide

C18H30IN3O — CID 111822697

IUPAC2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
SMILESCCCC(CCO)C/N=C(\N)Nc1cccc2c1CCCC2.I
InChIInChI=1S/C18H29N3O.HI/c1-2-6-14(11-12-22)13-20-18(19)21-17-10-5-8-15-7-3-4-9-16(15)17;/h5,8,10,14,22H,2-4,6-7,9,11-13H2,1H3,(H3,19,20,21);1H
InChIKeyOZGSPBUTURBCKR-UHFFFAOYSA-N
MW431.36 g/mol
LogP3.71
Rot. Bonds7

About 2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide

2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide (PubChem CID 111822697) has the molecular formula C18H30IN3O and a molecular weight of 431.36 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
PubChem CID111822697
Molecular FormulaC18H30IN3O
Molecular Weight431.36 g/mol
Exact Mass431.14
IUPAC Name2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
SMILESCCCC(CCO)C/N=C(\N)Nc1cccc2c1CCCC2.I
InChIInChI=1S/C18H29N3O.HI/c1-2-6-14(11-12-22)13-20-18(19)21-17-10-5-8-15-7-3-4-9-16(15)17;/h5,8,10,14,22H,2-4,6-7,9,11-13H2,1H3,(H3,19,20,21);1H
InChIKeyOZGSPBUTURBCKR-UHFFFAOYSA-N
XLogP3.71
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 53.71
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide (CID 111822697) is 2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide is CCCC(CCO)C/N=C(\N)Nc1cccc2c1CCCC2.I.
What is the InChIKey of 2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The InChIKey is OZGSPBUTURBCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.HI/c1-2-6-14(11-12-22)13-20-18(19)21-17-10-5-8-15-7-3-4-9-16(15)17;/h5,8,10,14,22H,2-4,6-7,9,11-13H2,1H3,(H3,19,20,21);1H.
What are the key properties of 2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide has a molecular weight of 431.36 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide is sourced from PubChem (CID 111822697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).