2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide

C14H22IN3 — CID 111810605

IUPAC2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/CC1CC1c1ccccc1.I
InChIInChI=1S/C14H21N3.HI/c1-2-8-16-14(15)17-10-12-9-13(12)11-6-4-3-5-7-11;/h3-7,12-13H,2,8-10H2,1H3,(H3,15,16,17);1H
InChIKeyIEQFPIJDBRKWTD-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.72
Rot. Bonds5

About 2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide

2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide (PubChem CID 111810605) has the molecular formula C14H22IN3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide
PubChem CID111810605
Molecular FormulaC14H22IN3
Molecular Weight359.26 g/mol
Exact Mass359.09
IUPAC Name2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/CC1CC1c1ccccc1.I
InChIInChI=1S/C14H21N3.HI/c1-2-8-16-14(15)17-10-12-9-13(12)11-6-4-3-5-7-11;/h3-7,12-13H,2,8-10H2,1H3,(H3,15,16,17);1H
InChIKeyIEQFPIJDBRKWTD-UHFFFAOYSA-N
XLogP2.72
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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Related Compounds

1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810551
1-(3-morpholin-4-ylpropyl)-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111558587
1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111810564
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-propylguanidine;hydroiodide
CID 110912152
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810583
2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111810562
1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111810616
2-[[2-(4-methylphenyl)oxan-3-yl]methyl]-1-propylguanidine
CID 111815582
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine
CID 111065706
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111829214
2-[(1-benzylpiperidin-2-yl)methyl]-1-propylguanidine;hydroiodide
CID 111078002
2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912166

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide (CID 111810605) is 2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/CC1CC1c1ccccc1.I.
What is the InChIKey of 2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide?
The InChIKey is IEQFPIJDBRKWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.HI/c1-2-8-16-14(15)17-10-12-9-13(12)11-6-4-3-5-7-11;/h3-7,12-13H,2,8-10H2,1H3,(H3,15,16,17);1H.
What are the key properties of 2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide?
2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide has a molecular weight of 359.26 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylcyclopropyl)methyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 111810605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).