1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide

C14H19FIN3 — CID 122126016

IUPAC1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NC1CC1)NC1CC1(F)c1ccccc1.I
InChIInChI=1S/C14H18FN3.HI/c1-16-13(17-11-7-8-11)18-12-9-14(12,15)10-5-3-2-4-6-10;/h2-6,11-12H,7-9H2,1H3,(H2,16,17,18);1H
InChIKeyDARCZYSQOODQFW-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.57
Rot. Bonds3

About 1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide

1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide (PubChem CID 122126016) has the molecular formula C14H19FIN3 and a molecular weight of 375.23 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide
PubChem CID122126016
Molecular FormulaC14H19FIN3
Molecular Weight375.23 g/mol
Exact Mass375.06
IUPAC Name1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NC1CC1)NC1CC1(F)c1ccccc1.I
InChIInChI=1S/C14H18FN3.HI/c1-16-13(17-11-7-8-11)18-12-9-14(12,15)10-5-3-2-4-6-10;/h2-6,11-12H,7-9H2,1H3,(H2,16,17,18);1H
InChIKeyDARCZYSQOODQFW-UHFFFAOYSA-N
XLogP2.57
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.57
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-cyclohexyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 75532682
1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 110933882
1-cyclobutyl-3-cyclopropyl-2-methylguanidine
CID 130625734
1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 75532438
1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
CID 119135603
1-cyclopentyl-2-methyl-3-[(4-phenyloxan-4-yl)methyl]guanidine;hydroiodide
CID 110992196
1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
CID 111425065
1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide
CID 119161827
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317989
1-cyclopropyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110933648
1-cyclopropyl-2-methyl-3-(2-phenoxypropyl)guanidine;hydroiodide
CID 111179317
1-[4-(aminomethyl)-4-phenylcyclohexyl]-3-cyano-2-methylguanidine
CID 58842600

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide (CID 122126016) is 1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide is C/N=C(\NC1CC1)NC1CC1(F)c1ccccc1.I.
What is the InChIKey of 1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide?
The InChIKey is DARCZYSQOODQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3.HI/c1-16-13(17-11-7-8-11)18-12-9-14(12,15)10-5-3-2-4-6-10;/h2-6,11-12H,7-9H2,1H3,(H2,16,17,18);1H.
What are the key properties of 1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide?
1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide has a molecular weight of 375.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-fluoro-2-phenylcyclopropyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 122126016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).