1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine

C17H24IN3 — CID 14771727

IUPAC1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](/N=C(\N)Nc1ccccc1I)C2
InChIInChI=1S/C17H24IN3/c1-16(2)11-8-9-17(16,3)14(10-11)21-15(19)20-13-7-5-4-6-12(13)18/h4-7,11,14H,8-10H2,1-3H3,(H3,19,20,21)/t11-,14-,17+/m1/s1
InChIKeyIHGPGLBRYYVGAG-ZLENFMNRSA-N
MW397.30 g/mol
LogP4.23
Rot. Bonds2

About 1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine

1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine (PubChem CID 14771727) has the molecular formula C17H24IN3 and a molecular weight of 397.30 g/mol. Its IUPAC name is 1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine.

Molecular Properties

Compound Name1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
PubChem CID14771727
Molecular FormulaC17H24IN3
Molecular Weight397.30 g/mol
Exact Mass397.10
IUPAC Name1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](/N=C(\N)Nc1ccccc1I)C2
InChIInChI=1S/C17H24IN3/c1-16(2)11-8-9-17(16,3)14(10-11)21-15(19)20-13-7-5-4-6-12(13)18/h4-7,11,14H,8-10H2,1-3H3,(H3,19,20,21)/t11-,14-,17+/m1/s1
InChIKeyIHGPGLBRYYVGAG-ZLENFMNRSA-N
XLogP4.23
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 54.23
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

2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]iminomethyl]phenol
CID 137047925
(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 44717056
1-[(E)-N'-hydroxycarbamimidoyl]-N-(2-iodophenyl)cyclobutane-1-carboxamide
CID 80590427
1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171577098
1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63419456
2-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 64824088
diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
CID 46184297
(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
2-hydroxysulfonothioyloxy-N'-[(2S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanimidamide
CID 56843756
[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea
CID 63022469
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 2894871
1-(2-chlorophenyl)-2-cyclopropylguanidine
CID 62378718

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine?
The IUPAC name of 1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine (CID 14771727) is 1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine.
What is the SMILES notation for 1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine?
The canonical SMILES for 1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](/N=C(\N)Nc1ccccc1I)C2.
What is the InChIKey of 1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine?
The InChIKey is IHGPGLBRYYVGAG-ZLENFMNRSA-N. The full InChI is InChI=1S/C17H24IN3/c1-16(2)11-8-9-17(16,3)14(10-11)21-15(19)20-13-7-5-4-6-12(13)18/h4-7,11,14H,8-10H2,1-3H3,(H3,19,20,21)/t11-,14-,17+/m1/s1.
What are the key properties of 1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine?
1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine has a molecular weight of 397.30 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-2-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine is sourced from PubChem (CID 14771727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).