1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine

C15H22N4 — CID 116515206

IUPAC1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine
SMILESNN/C(=N\CC1CC2CCC1C2)Nc1ccccc1
InChIInChI=1S/C15H22N4/c16-19-15(18-14-4-2-1-3-5-14)17-10-13-9-11-6-7-12(13)8-11/h1-5,11-13H,6-10,16H2,(H2,17,18,19)
InChIKeyHYQKJWZBPUULOZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.35
Rot. Bonds3

About 1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine

1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine (PubChem CID 116515206) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine
PubChem CID116515206
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine
SMILESNN/C(=N\CC1CC2CCC1C2)Nc1ccccc1
InChIInChI=1S/C15H22N4/c16-19-15(18-14-4-2-1-3-5-14)17-10-13-9-11-6-7-12(13)8-11/h1-5,11-13H,6-10,16H2,(H2,17,18,19)
InChIKeyHYQKJWZBPUULOZ-UHFFFAOYSA-N
XLogP2.35
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
1-amino-3-phenyl-2-(thian-2-ylmethyl)guanidine
CID 116515930
1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine
CID 116515017
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate
CID 98115390
1-amino-2-[(2,2-dimethylcyclopropyl)methyl]-3-phenylguanidine
CID 114110145
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-phenylthiourea
CID 40547896
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylthiourea
CID 18530094
1-amino-2-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylguanidine
CID 106026185
(2-anilino-2-oxoethyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23739831
(2-anilino-2-oxoethyl) 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174519
2-(2-bicyclo[2.2.1]heptanyl)-1-phenylguanidine
CID 21409354

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine?
The IUPAC name of 1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine (CID 116515206) is 1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine?
The canonical SMILES for 1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine is NN/C(=N\CC1CC2CCC1C2)Nc1ccccc1.
What is the InChIKey of 1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine?
The InChIKey is HYQKJWZBPUULOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c16-19-15(18-14-4-2-1-3-5-14)17-10-13-9-11-6-7-12(13)8-11/h1-5,11-13H,6-10,16H2,(H2,17,18,19).
What are the key properties of 1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine?
1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine has a molecular weight of 258.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylguanidine is sourced from PubChem (CID 116515206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).